Trifolirhizin
precursor
Showing entry for Trifolirhizin
Identification
- PhytoHub ID
- PHUB003037
- Name
- Trifolirhizin
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 446.408
- Monoisotopic Mass
- 446.121296908
- Chemical Formula
- C22H22O10
- IUPAC Name
- Not Available
- InChI Key
- VGSYCWGXBYZLLE-QEEQPWONSA-N
- InChI Identifier
InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
- SMILES
[H][C@@]12COC3=C(C=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)[C@]1([H])OC1=C2C=C2OCOC2=C1
- Structure
Structure for Trifolirhizin
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- 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
- Not Available
- Class
- Not Available
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (103.0389705,0.7617913567);(123.0440559,1.304620251);(163.0600999,2.221075955);(237.0757499,0.631645515);(251.0550145,1.770141285);(253.0706646,4.160083418);(255.0651853,0.7808677807);(255.0863146,2.417400564);(267.0651853,8.120135032);(269.0655792,0.9306498009);(271.0812292,9.173518119);(285.0757499,23.83416002);(415.1023586,0.7944335306);(417.1180087,1.653407028);(419.1336587,0.6902768725);(429.1180087,8.622997344);(447.1285734,12.44408348) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (43.01784114,0.9818652956);(123.0440559,1.860501165);(145.0495352,2.324646395);(147.0440559,0.9394960495);(163.0600999,3.069601697);(175.0389705,1.500591814);(191.0338851,1.041421893);(237.0546206,1.100965906);(239.0702706,3.698321017);(251.0550145,0.8076296614);(253.0706646,1.507599487);(255.0651853,10.88582714);(255.0863146,0.6094244963);(257.0808353,1.770401206);(267.0651853,11.00317395);(271.0812292,1.786165393);(283.0600999,0.9961181317);(285.0757499,30.24326643);(417.1180087,0.6633573634);(429.1180087,2.270495181);(447.1285734,1.233142462) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.00219107,1.0624572);(43.01784114,3.366529021);(45.0334912,1.037915609);(51.02292652,1.032174069);(65.03857658,2.685855526);(73.02840582,2.037299838);(97.06479133,3.068527222);(103.0389705,1.404763118);(123.0440559,4.830751556);(127.075356,1.087990152);(145.0495352,1.048433321);(147.0651853,0.9465463621);(149.0597059,2.069757625);(159.0287997,0.9775091877);(161.0444498,1.013817445);(163.0389705,1.521037604);(163.0600999,2.312231805);(179.0338851,1.486389517);(233.0444498,1.66227588);(235.0600999,0.9074046062);(237.0546206,2.400085621);(237.0757499,1.760911433);(239.0702706,2.317255679);(249.0393644,0.9109307204);(251.0550145,1.140275399);(253.0495352,2.167336062);(253.0706646,3.380819942);(255.0651853,2.105950314);(257.0808353,1.795241764);(267.0651853,3.403046568);(285.0757499,3.330927746) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (73.02950298,1.116786553);(89.0244176,1.033130432);(103.0400677,2.470692021);(133.0506323,1.863885394);(161.045547,1.670710301);(179.0561117,1.222539671);(191.0349823,0.971964727);(253.0506323,1.263727502);(265.0506323,3.301515515);(283.061197,21.32969937);(325.0717617,1.507184057);(341.0666763,0.9278705362);(399.1085411,0.9589774008);(415.1034558,2.468384589);(417.1191058,1.090527072);(427.1034558,6.611082879);(445.1140205,30.7097699) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (15.02402368,0.7345526568);(43.0189383,1.875356721);(45.03458836,0.8278530727);(73.02950298,2.064335775);(89.0244176,1.003413397);(103.0400677,1.060889027);(105.0557177,0.8640977257);(131.0349823,0.8673920536);(133.0506323,1.115335544);(161.045547,2.611012588);(163.0400677,1.470286981);(179.0561117,1.606861655);(191.0349823,1.449315765);(235.0400677,1.162952329);(237.0557177,2.614442695);(253.0506323,6.806959103);(255.0662824,0.8714894411);(265.0506323,1.882052513);(267.0662824,0.9171444277);(281.045547,0.7052045971);(283.061197,32.92394062);(295.061197,1.200700527);(325.0717617,1.19463262);(341.0666763,1.029128462);(355.0823264,0.7064301103);(415.1034558,2.504346273);(427.1034558,4.596566812);(445.1140205,3.83310561) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (29.00328823,0.5614219682);(41.00328823,1.936260386);(43.0189383,4.87808566);(45.03458836,1.780792226);(59.01385292,1.850819652);(73.02950298,1.523143152);(105.0557177,0.6530280217);(131.0349823,0.748370883);(137.0244176,1.809329769);(147.045153,1.856369017);(161.0244176,2.412660242);(161.045547,0.5683322994);(163.0400677,0.5864655234);(175.0400677,1.587370556);(185.0244176,1.152075065);(191.0349823,0.7440866201);(211.0400677,5.517880896);(215.0349823,0.7095663366);(225.0557177,1.390659144);(237.0557177,1.876022707);(241.0506323,1.108038548);(253.0506323,19.14143678);(255.0662824,4.488288544);(265.0506323,1.68110186);(267.0298969,0.68008582);(267.0662824,0.7232423717);(281.045547,1.167333925);(283.061197,16.36372121);(295.061197,0.5603003016) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45);(447.12857,11.45) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (255.06519,3.41);(255.06519,3.41);(255.06519,3.41);(255.06519,3.41);(267.06519,4.61);(267.06519,4.61);(267.06519,4.61);(267.06519,4.61);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(283.0601,7.38);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(327.08631,2.7);(327.08631,2.7);(373.09179,4.22);(373.09179,4.22);(373.09179,4.22);(387.10744,5.46);(387.10744,5.46);(387.10744,5.46);(387.10744,5.46);(429.11801,5.72);(429.11801,5.72);(429.11801,5.72);(429.11801,5.72);(429.11801,5.72);(429.11801,5.72);(429.11801,5.72);(429.11801,5.72);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85);(447.12857,9.85) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01784,4.18);(45.03349,9.39);(55.01784,5.96);(57.03349,11.73);(59.04914,4.86);(61.02841,12.69);(75.04406,4.18);(75.04406,4.18);(85.02841,5.22);(85.02841,5.22);(85.02841,5.22);(85.02841,5.22);(91.03897,7.96);(105.05462,14.53);(107.07027,5.31);(149.05971,6.85);(271.08123,4.64);(271.08123,4.64);(271.09649,4.21);(271.09649,4.21);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(283.0601,18.36);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(285.07575,100.0);(295.0601,10.46);(297.07575,45.15);(297.07575,45.15);(297.07575,45.15);(299.0914,4.39);(309.09688,4.07);(309.09688,4.07);(327.08631,5.04);(327.08631,5.04);(331.11761,7.77);(333.13326,25.1);(373.09179,4.03);(373.09179,4.03);(373.09179,4.03);(375.10744,11.21);(375.10744,11.21);(375.10744,11.21);(375.10744,11.21);(385.09179,10.82);(385.09179,10.82);(387.10744,19.58);(387.10744,19.58);(387.10744,19.58);(387.10744,19.58);(429.11801,5.98);(429.11801,5.98);(429.11801,5.98);(429.11801,5.98);(429.11801,5.98);(429.11801,5.98);(429.11801,5.98);(429.11801,5.98);(445.11292,6.56);(445.11292,6.56);(445.11292,6.56);(445.11292,6.56);(445.11292,6.56);(445.11292,6.56);(445.11292,6.56);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02);(447.12857,18.02) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78);(445.11402,12.78) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (43.01894,3.28);(59.01385,14.43);(253.05063,3.35);(253.05063,3.35);(253.05063,3.35);(253.05063,3.35);(265.05063,3.0);(265.05063,3.0);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(281.04555,9.32);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(283.0612,100.0);(285.07685,2.72);(285.07685,2.72);(427.10346,3.26);(427.10346,3.26);(427.10346,3.26);(427.10346,3.26);(427.10346,3.26);(427.10346,3.26);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(443.09837,12.18);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74);(445.11402,13.74) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,27.07);(59.01385,24.64);(137.02442,30.96);(161.02442,8.36);(161.02442,8.36);(185.02442,6.08);(211.04007,11.22);(241.05063,8.59);(241.05063,8.59);(251.03498,6.95);(251.03498,6.95);(251.03498,6.95);(253.05063,30.79);(253.05063,30.79);(253.05063,30.79);(253.05063,30.79);(265.01425,16.07);(265.05063,6.84);(265.05063,6.84);(267.0299,24.24);(267.06628,10.72);(267.06628,10.72);(279.0299,7.9);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(281.04555,100.0);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(283.0612,95.77);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(443.09837,27.66);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82);(445.11402,9.82) |
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