PhytoHub: Showing entry for Peonidin 3-sophoroside 5-glucoside

Peonidin 3-sophoroside 5-glucoside

Identification

PhytoHub ID

PHUB002696

Name

Peonidin 3-sophoroside 5-glucoside

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

787.696

Monoisotopic Mass

787.229134825

Chemical Formula

C₃₄H₄₃O₂₁

IUPAC Name

Not Available

InChI Key

JRZVFIAPPQXNCE-HRTNZEMOSA-O

InChI Identifier

InChI=1S/C34H42O21/c1-48-17-4-11(2-3-14(17)39)30-18(7-13-15(49-30)5-12(38)6-16(13)50-32-28(46)25(43)22(40)19(8-35)52-32)51-34-31(27(45)24(42)21(10-37)54-34)55-33-29(47)26(44)23(41)20(9-36)53-33/h2-7,19-29,31-37,40-47H,8-10H2,1H3,(H-,38,39)/p+1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1

SMILES

[H][C@]1(CO)O[C@@]([H])(OC2=CC(O)=CC3=[O+]C(=C(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)C=C23)C2=CC(OC)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.93e+00 g/l
LogS (ALOGPS): -2.32
LogP (ALOGPS): -0.65
Hydrogen Acceptors: Not Available
Hydrogen Donors: Not Available
Rotatable Bond Count: Not Available
Polar Surface Area: Not Available
Refractivity: Not Available
Polarizability: Not Available
Formal Charge: Not Available
Physiological Charge: Not Available
pKa (strongest basic): Not Available
pKa (strongest acidic): Not Available
Number of Rings: Not Available
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Anthocyanins

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Flavonoid metabolites
Metabolite Sub-class: Anthocyanidins (parent and host metabolites)

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,1.027764748);(59.01275342,1.051549309);(71.01275342,0.9996425646);(72.02057802,1.213423797);(73.02840262,1.206790325);(89.02331672,1.304660192);(101.0233167,1.051492112);(102.0311413,1.493673179);(103.0389659,1.435473509);(133.0495292,1.299188814);(295.1023457,1.776545714);(679.2052493,1.623397741);(696.207988,0.9768070561);(737.2107267,1.023480771);(738.2185513,1.025690219);(753.2056408,1.544492724);(754.2134654,1.314426089);(767.22129,1.7859021);(768.2291146,1.433512322);(783.2162041,1.592640058);(784.2240287,0.906155019);(797.2318533,2.507135093);(798.2348451,1.143994577);(798.2396779,1.375045043);(827.2424166,3.427171786);(828.2454202,1.604479862);(840.2502412,3.36589161);(841.2532541,1.613973134);(841.2580658,2.866867681);(842.2610797,1.375117088);(843.2373307,1.853946951)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,1.02520472);(59.01275342,1.048930037);(71.01275342,0.9971525859);(72.02057802,1.210401317);(73.02840262,1.203784368);(89.02331672,1.301410454);(101.0233167,1.048872983);(102.0311413,1.489952634);(103.0389659,1.431897932);(133.0495292,1.295952705);(295.1023457,1.772120571);(679.2052493,1.408553534);(696.207988,1.182812735);(737.2107267,1.020931414);(738.2185513,1.023135359);(753.2056408,1.540645595);(754.2134654,1.311152025);(767.22129,1.781453652);(768.2291146,1.42994163);(783.2162041,1.588673);(784.2240287,0.9038979055);(797.2318533,2.500890147);(798.2348451,1.141145036);(798.2396779,1.371619986);(827.2424166,3.41863515);(828.2454202,1.600483313);(840.2502412,3.357507614);(841.2532541,1.609952939);(841.2580658,2.859726689);(842.2610797,1.371691851);(843.2373307,1.799641537)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.8730763903);(71.01275342,0.8491868629);(72.02057802,1.030791989);(73.02840262,1.025156917);(73.04679982,1.239895934);(89.02331672,0.8679183774);(101.0233167,1.047584678);(102.0311413,1.129182492);(103.0389659,0.9414936991);(115.0573631,0.782711754);(133.0495292,1.103648556);(174.0706651,0.7441570409);(175.0784897,0.7436086706);(295.1023457,1.509158708);(624.1684642,0.7659845302);(679.2052493,1.199540746);(753.2056408,0.8258010493);(754.2134654,0.7380766411);(767.22129,1.123335886);(768.2291146,0.9078290723);(783.2162041,0.9019550668);(797.2318533,1.768213883);(798.2348451,0.80682812);(798.2396779,0.9599721999);(827.2424166,2.243368932);(828.2454202,1.050265496);(840.2502412,2.731279675);(841.2532541,1.309671412);(841.2580658,2.435376862);(842.2610797,1.168148904);(843.2373307,1.532595886)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,1.07855027);(59.01275342,1.108199783);(71.01275342,0.8363725298);(72.02057802,1.015237213);(73.02840262,1.009687175);(73.04679982,1.221185753);(89.04171392,1.149150306);(101.0233167,1.031776497);(102.0311413,1.112142991);(103.0389659,0.9272864446);(131.0522772,0.8981796055);(133.0495292,1.086994365);(161.0628405,0.8643285285);(174.0706651,0.8636837454);(295.1023457,1.486385319);(624.1684642,0.7544257304);(679.2052493,1.18143953);(695.1817662,0.9404495455);(753.2056408,0.8133396109);(767.22129,0.8942754593);(783.2162041,0.8883444551);(797.2318533,1.730492649);(798.2348451,0.7896160888);(798.2396779,1.255367379);(827.2424166,2.916350844);(828.2454202,1.365331677);(840.2502412,2.528348358);(841.2532541,1.212364151);(841.2580658,2.117948715);(842.2610797,1.015891835);(843.2373307,1.509468828)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.8338764641);(71.01275342,1.357531346);(72.02057802,1.634211999);(73.02840262,1.780049698);(73.04679982,1.184226316);(88.01549212,0.7734713407);(89.02331672,0.8588762024);(89.04171392,0.9833774427);(101.0233167,1.00054957);(102.0311413,1.078483755);(103.0389659,0.89922193);(131.0522772,1.63487307);(133.0495292,1.054096258);(161.0628405,0.9398187751);(205.089053,0.9342627041);(295.1023457,1.441399563);(679.2052493,1.14568302);(753.2056408,0.7887237206);(767.22129,1.157305739);(768.2291146,1.039074074);(783.2162041,1.226490606);(784.2240287,0.9500565242);(797.2318533,1.604233736);(798.2396779,0.9435161949);(827.2424166,2.573177443);(828.2454202,1.204670104);(840.2502412,2.386117586);(841.2532541,1.144163308);(841.2580658,1.979565606);(842.2610797,0.9495152184);(843.2373307,1.463784444)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.9377291932);(71.01275342,0.9120706053);(72.02057802,1.107123902);(73.02840262,1.101071544);(73.04679982,1.331712352);(89.04171392,1.253157149);(101.0233167,1.125160118);(102.0311413,1.212800391);(103.0389659,1.011212921);(131.0522772,1.461229738);(133.0495292,1.185375623);(205.089053,1.567690385);(295.1023457,1.620914497);(679.2052493,1.288368794);(737.2107267,0.8335541659);(738.2185513,0.9444174441);(753.2056408,1.251668988);(754.2134654,1.178919381);(767.22129,1.343173319);(768.2291146,1.067364241);(783.2162041,1.453119578);(797.2318533,2.035906487);(798.2348451,0.9289750627);(798.2396779,1.331387738);(827.2424166,2.990368385);(828.2454202,1.399984055);(840.2502412,2.757183115);(841.2532541,1.322092328);(841.2580658,2.309639184);(842.2610797,1.107837773);(843.2373307,1.646087238)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.9138684391);(59.01275342,0.9350172088);(71.01275342,0.8888627404);(72.02057802,1.078952858);(73.02840262,1.073054503);(73.04679982,1.297826598);(89.02331672,1.160078486);(101.0233167,0.9349663506);(102.0311413,1.328145161);(103.0389659,1.276395146);(115.0573631,0.8192817683);(133.0495292,1.155213444);(367.1418695,1.010493892);(679.2052493,1.44349372);(696.207988,0.8685578501);(753.2056408,1.017897246);(754.2134654,0.7924018549);(767.22129,1.275179635);(768.2291146,1.059938574);(783.2162041,0.9440963909);(797.2318533,1.858868976);(798.2348451,0.848193635);(798.2396779,0.9780248082);(827.2424166,2.348184061);(828.2454202,1.099336209);(840.2502412,2.858891067);(841.2532541,1.37086214);(841.2580658,2.549163024);(842.2610797,1.222727389);(843.2373307,1.604202136);(844.2403353,0.75163177)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.01275342,0.9387550387);(71.01275342,0.892416063);(72.02057802,1.083266085);(73.02840262,1.077344151);(73.04679982,1.303014797);(89.02331672,1.164716022);(89.04171392,1.226152409);(101.0233167,0.9387039772);(102.0311413,1.333454561);(103.0389659,1.28149767);(133.0495292,1.159831532);(323.115657,0.9230316321);(367.1418695,1.411369138);(679.2052493,1.449264239);(696.207988,0.8720300017);(753.2056408,1.021966397);(754.2134654,0.7955695649);(767.22129,1.2802773);(768.2291146,1.06417579);(783.2162041,0.9478705158);(797.2318533,1.90166189);(798.2348451,0.8677198509);(798.2396779,1.105631254);(827.2424166,3.111769272);(828.2454202,1.45681963);(840.2502412,2.69776757);(841.2532541,1.293602078);(841.2580658,2.259867926);(842.2610797,1.083964573);(843.2373307,1.610615103);(844.2403353,0.7546364973)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.9515983432);(59.01275342,0.9736202594);(71.01275342,0.9255602611);(72.02057802,1.123498425);(73.02840262,1.117356551);(73.04679982,1.35140857);(89.02331672,1.2079734);(89.04171392,1.271691524);(101.0233167,0.9735673015);(102.0311413,1.382978863);(103.0389659,1.3290923);(131.0522772,1.646941071);(133.0495292,1.2029075);(367.1418695,1.463787175);(679.2052493,1.88098076);(696.207988,0.9044170645);(753.2056408,1.059922075);(767.22129,1.578065357);(768.2291146,1.380117602);(783.2162041,1.342997099);(784.2240287,0.9718448747);(797.2318533,2.086026721);(798.2348451,0.9518447024);(798.2396779,0.9987793408);(827.2424166,3.029563576);(828.2454202,1.418333849);(840.2502412,2.797962252);(841.2532541,1.341646265);(841.2580658,2.34379908);(842.2610797,1.124222854);(843.2373307,1.670433106)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.8588474198);(59.01275342,0.8787228915);(71.01275342,0.8353472322);(72.02057802,1.013992647);(73.02840262,1.008449413);(73.04679982,1.219688718);(89.02331672,1.090233968);(101.0233167,0.8786750953);(102.0311413,1.2481819);(103.0389659,1.199547583);(115.0573631,0.769955502);(133.0495292,1.085661834);(174.0706651,0.7320291346);(175.0784897,0.7314897015);(367.1418695,1.321113942);(607.1657255,1.320076683);(753.2056408,0.8123425491);(754.2134654,0.7260478303);(767.22129,1.105028309);(768.2291146,0.8930337196);(783.2162041,0.8872554458);(797.2318533,1.739396401);(798.2348451,0.7936788312);(798.2396779,0.9443270442);(827.2424166,2.206807606);(828.2454202,1.033148784);(840.2502412,2.686766619);(841.2532541,1.28832703);(841.2580658,2.395686285);(842.2610797,1.149110986);(843.2373307,1.507618391)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.01275342,0.8758669567);(71.01275342,0.8326322725);(72.02057802,1.010697073);(73.02840262,1.005171854);(73.04679982,1.215724612);(89.02331672,1.086690602);(89.04171392,1.144011307);(101.0233167,0.8758193158);(102.0311413,1.244125187);(103.0389659,1.195648937);(131.0522772,0.894162947);(133.0495292,1.082133328);(161.0628405,0.860463252);(174.0706651,0.8598213525);(175.0784897,0.7289432446);(367.1418695,1.316820194);(607.1657255,1.315786306);(695.1817662,0.9362438559);(753.2056408,0.8097023569);(767.22129,0.8902762602);(783.2162041,0.8843717794);(797.2318533,1.722753887);(798.2348451,0.7860849263);(798.2396779,1.249753378);(827.2424166,2.903308925);(828.2454202,1.359225914);(840.2502412,2.517041586);(841.2532541,1.20694246);(841.2580658,2.108477251);(842.2610797,1.011348768);(843.2373307,1.502718484)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.8435467322);(59.01275342,0.8630681149);(71.01275342,0.8204652092);(72.02057802,0.9959279895);(73.02840262,0.9904835099);(73.04679982,1.197959508);(89.02331672,1.070811043);(89.04171392,0.9947814384);(101.0233167,0.8630211702);(102.0311413,1.225945073);(103.0389659,1.178177195);(131.0522772,1.653647152);(133.0495292,1.066320363);(161.0628405,0.9507176311);(205.089053,0.9450971277);(367.1418695,1.297577804);(607.1657255,1.296559024);(753.2056408,0.7978703631);(767.22129,1.17072674);(768.2291146,1.051123971);(783.2162041,1.240713927);(784.2240287,0.961074105);(797.2318533,1.622837655);(798.2396779,0.954457929);(827.2424166,2.603017974);(828.2454202,1.218640378);(840.2502412,2.413788828);(841.2532541,1.1574319);(841.2580658,2.002522161);(842.2610797,0.9605265218);(843.2373307,1.480759606)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.01783932,0.9211222318);(59.01275342,0.942438869);(72.02057802,1.087517001);(73.02840262,1.081571828);(73.04679982,1.308128043);(89.02331672,1.169286561);(89.04171392,1.230964034);(101.0233167,0.9423876071);(102.0311413,1.338687258);(103.0389659,1.286526479);(131.0522772,1.435575714);(133.0495292,1.164382903);(205.089053,1.539926961);(367.1418695,1.416907584);(607.1657255,1.415795114);(738.2185513,0.9276920354);(753.2056408,1.229502228);(754.2134654,1.158040999);(767.22129,1.319386038);(768.2291146,1.048461474);(783.2162041,1.427385175);(797.2318533,1.999851066);(798.2348451,0.9125231349);(798.2396779,1.307809177);(827.2424166,2.937409671);(828.2454202,1.37519067);(840.2502412,2.708354057);(841.2532541,1.298678387);(841.2580658,2.268736022);(842.2610797,1.08821823);(843.2373307,1.616935424)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(163.0600999,1.946839168);(285.0757499,2.540937176);(301.0706646,6.998741404);(445.1129233,5.823324028);(447.1285734,6.495234973);(461.1078379,3.187268411);(463.123488,18.16921108);(465.139138,1.630153512);(607.1657467,4.537226608);(609.1813968,5.698188913);(623.1606613,2.743455456);(625.1763114,11.14637848);(769.2185701,8.261350607);(787.2291348,1.709187913)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(163.0600999,4.040812817);(283.0600999,2.114613557);(285.0757499,2.091618381);(301.0706646,18.42688588);(445.1129233,3.215001043);(447.1285734,5.636436668);(463.123488,24.31526192);(465.139138,5.101072011);(607.1657467,2.472924217);(609.1813968,5.843695786);(625.1763114,4.62147087);(769.2185701,2.282664669)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(121.0284058,3.593091734);(123.0440559,1.113035429);(137.0233204,1.266544391);(145.0495352,0.8482166901);(161.0444498,0.7535453108);(163.0600999,7.005762972);(279.0499291,1.228172316);(281.0655792,0.926485156);(283.0600999,2.060446853);(285.0757499,3.539466243);(285.0968793,0.9233600994);(299.0550145,0.8838306778);(301.0706646,17.64478287);(325.1129233,1.45251466);(445.1129233,3.250365089);(447.1285734,3.601099693);(461.1078379,2.621561495);(463.123488,20.51469034);(465.139138,1.493604854);(607.1657467,1.691935382);(609.1813968,0.883111868);(695.1817907,0.8677049887);(711.1767053,0.8419647642);(769.2185701,1.416898702)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(163.0601,18.64);(163.0601,18.64);(163.0601,18.64);(163.0601,18.64);(163.0601,18.64);(163.0601,18.64);(163.0601,18.64);(301.07066,23.05);(463.12349,19.92);(463.12349,19.92);(463.12349,19.92);(463.12349,19.92);(463.12349,19.92);(463.12349,19.92);(463.12349,19.92);(463.12349,19.92);(465.13914,28.85);(465.13914,28.85);(465.13914,28.85);(465.13914,28.85);(465.13914,28.85);(465.13914,28.85);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(609.1814,19.99);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(625.17631,35.6);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(627.19196,50.53);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(769.21857,100.0);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89);(787.22913,55.89)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(143.03389,8.9);(143.03389,8.9);(143.03389,8.9);(145.04954,14.55);(145.04954,14.55);(145.04954,14.55);(145.04954,14.55);(163.0601,22.61);(163.0601,22.61);(163.0601,22.61);(163.0601,22.61);(163.0601,22.61);(163.0601,22.61);(163.0601,22.61);(301.07066,50.4);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(447.12857,13.92);(463.12349,100.0);(463.12349,100.0);(463.12349,100.0);(463.12349,100.0);(463.12349,100.0);(463.12349,100.0);(463.12349,100.0);(463.12349,100.0);(465.13914,13.63);(465.13914,13.63);(465.13914,13.63);(465.13914,13.63);(465.13914,13.63);(465.13914,13.63);(607.16575,23.55);(607.16575,23.55);(607.16575,23.55);(607.16575,23.55);(607.16575,23.55);(607.16575,23.55);(607.16575,23.55);(607.16575,23.55);(607.16575,23.55);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(609.1814,18.22);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(625.17631,73.96);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(627.19196,90.37);(667.18688,9.13);(667.18688,9.13);(667.18688,9.13);(715.20801,11.19);(715.20801,11.19);(715.20801,11.19);(715.20801,11.19);(727.20801,18.27);(727.20801,18.27);(727.20801,18.27);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(751.20801,11.75);(757.21857,6.84);(757.21857,6.84);(757.21857,6.84);(757.21857,6.84);(757.21857,6.84);(757.21857,6.84);(759.23422,14.04);(759.23422,14.04);(759.23422,14.04);(759.23422,14.04);(759.23422,14.04);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(769.21857,44.42);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12);(787.22913,50.12)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(45.03349,37.25);(61.02841,14.14);(73.02841,34.75);(73.02841,34.75);(73.02841,34.75);(77.05971,17.05);(87.04406,18.26);(87.04406,18.26);(91.03897,16.35);(103.03897,18.94);(103.03897,18.94);(105.05462,18.02);(105.05462,18.02);(121.04954,16.95);(133.04954,15.04);(133.04954,15.04);(143.03389,25.42);(143.03389,25.42);(143.03389,25.42);(145.04954,16.44);(145.04954,16.44);(145.04954,16.44);(145.04954,16.44);(147.06519,100.0);(147.06519,100.0);(147.06519,100.0);(147.06519,100.0);(161.04445,14.04);(161.04445,14.04);(163.0601,57.97);(163.0601,57.97);(163.0601,57.97);(163.0601,57.97);(163.0601,57.97);(163.0601,57.97);(163.0601,57.97);(165.07575,23.11);(165.07575,23.11);(165.07575,23.11);(165.07575,23.11);(165.07575,23.11);(165.07575,23.11);(165.07575,23.11);(269.08084,26.81);(285.07575,62.66);(285.07575,62.66);(301.07066,17.81);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(447.12857,26.26);(463.12349,32.93);(463.12349,32.93);(463.12349,32.93);(463.12349,32.93);(463.12349,32.93);(463.12349,32.93);(463.12349,32.93);(463.12349,32.93);(477.13914,17.55);(507.1497,14.79);(553.15518,13.87);(553.15518,13.87);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(609.1814,40.0);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(611.19705,19.11);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(625.17631,77.09);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(627.19196,52.1);(715.20801,16.95);(715.20801,16.95);(715.20801,16.95);(715.20801,16.95);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28);(787.22913,25.28)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

Back

Showing entry for Peonidin 3-sophoroside 5-glucoside

Identification

Structure for Peonidin 3-sophoroside 5-glucoside

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Taxonomy as Metabolite

Spectra from Phytohub

Food Sources

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism