Cyanidin-3-(feruoyl) (feruloyl)-triglucosides-5-glucoside Mrv2104 06072104232D 91 99 0 0 1 0 999 V2000 11.7144 -8.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7144 -9.5162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9999 -8.2787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9999 -9.9287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2855 -8.6912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2855 -9.5162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4289 -9.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9999 -10.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1352 -6.2162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1352 -7.0412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4207 -5.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4207 -7.4537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7063 -6.2162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7063 -7.0412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8497 -5.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8497 -7.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4207 -8.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9918 -7.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 -7.1023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2227 -7.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 -6.6898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5082 -8.3398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7938 -7.1023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7938 -7.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6725 -4.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6725 -5.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 -4.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 -5.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2436 -4.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2436 -5.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 -4.1829 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.1015 -4.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3869 -5.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1014 -5.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8159 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8160 -3.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5305 -4.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5306 -2.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2449 -4.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2450 -3.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9595 -2.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 -6.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5291 -4.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8166 -5.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 -5.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0793 -6.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0793 -8.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 -9.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 -9.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5642 -6.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 -8.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 -9.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1434 -9.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 -10.7537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2855 -11.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2855 -11.9912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5710 -12.4037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8565 -11.1662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8565 -11.9912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1421 -10.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 -12.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 -13.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -12.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7145 -11.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4290 -12.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1434 -11.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4289 -13.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 -12.4038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5724 -11.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2868 -12.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0013 -11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0013 -11.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2868 -10.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5724 -11.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5307 -2.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2786 -5.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9932 -6.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2787 -4.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7076 -5.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4221 -6.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1365 -5.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8511 -6.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8511 -7.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1365 -7.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4221 -7.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1365 -4.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5655 -5.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8510 -4.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2868 -9.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0013 -9.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7158 -10.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 2 7 1 1 0 0 0 4 8 1 6 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 14 13 1 0 0 0 0 9 15 1 1 0 0 0 10 16 1 6 0 0 0 12 17 1 1 0 0 0 14 18 1 6 0 0 0 20 19 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 27 25 2 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 30 29 2 0 0 0 0 31 25 1 0 0 0 0 26 25 1 0 0 0 0 32 31 2 0 0 0 0 33 26 1 0 0 0 0 34 32 1 0 0 0 0 34 33 2 0 0 0 0 36 35 1 0 0 0 0 37 35 2 0 0 0 0 38 36 2 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 40 39 2 0 0 0 0 32 35 1 0 0 0 0 40 41 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 34 44 1 0 0 0 0 19 42 1 1 0 0 0 21 45 1 6 0 0 0 23 46 1 1 0 0 0 24 47 1 6 0 0 0 22 48 1 1 0 0 0 48 49 1 0 0 0 0 13 44 1 1 0 0 0 15 50 1 0 0 0 0 3 18 1 1 0 0 0 5 51 1 6 0 0 0 6 52 1 1 0 0 0 7 53 1 0 0 0 0 54 52 1 1 0 0 0 56 55 1 0 0 0 0 54 55 1 0 0 0 0 57 56 1 0 0 0 0 58 54 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 58 60 1 6 0 0 0 59 61 1 1 0 0 0 57 62 1 6 0 0 0 56 63 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 2 0 0 0 0 66 68 2 0 0 0 0 68 69 1 0 0 0 0 72 71 1 0 0 0 0 73 71 2 0 0 0 0 70 72 2 0 0 0 0 74 73 1 0 0 0 0 69 70 1 0 0 0 0 69 74 2 0 0 0 0 38 75 1 0 0 0 0 50 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 77 79 2 0 0 0 0 79 80 1 0 0 0 0 83 82 1 0 0 0 0 81 82 2 0 0 0 0 84 83 2 0 0 0 0 80 81 1 0 0 0 0 85 84 1 0 0 0 0 85 80 2 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 86 88 1 0 0 0 0 73 89 1 0 0 0 0 89 90 1 0 0 0 0 71 91 1 0 0 0 0 M CHG 1 31 1 M END > PHUB000487 > phytohub > COC1=C(O)C=CC(\C=C\C(=O)OC[C@@H]2O[C@H](O[C@@H]3[C@@H](O)[C@H](CO)O[C@H](O[C@@H]4[C@@H](OC5=CC6=C(O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)C=C(O)C=C6[O+]=C5C5=CC=C(O)C(O)=C5)O[C@@H](COC(=O)\C=C\C5=CC=CC(O)=C5OC)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)=C1 > InChI=1S/C59H66O32/c1-79-34-14-23(6-10-29(34)64)7-12-40(67)81-21-38-43(70)47(74)50(77)57(88-38)90-54-45(72)37(20-61)87-58(51(54)78)91-55-48(75)44(71)39(22-82-41(68)13-9-24-4-3-5-30(65)52(24)80-2)89-59(55)85-35-18-27-32(83-53(35)25-8-11-28(63)31(66)15-25)16-26(62)17-33(27)84-56-49(76)46(73)42(69)36(19-60)86-56/h3-18,36-39,42-51,54-61,69-78H,19-22H2,1-2H3,(H4-,62,63,64,65,66,67)/p+1/b13-9+/t36-,37-,38-,39-,42-,43-,44-,45-,46+,47+,48+,49-,50-,51-,54+,55-,56-,57+,58+,59-/m0/s1 > GNRDYGNUXHHTTK-UROUXMLXSA-O > C59H67O32 > 1288.152 > 1287.360996418 > 30 > 158 > 0.20970747361169106 > 123.86560844010037 > 0 > 17 > 1 > 0 > 3-{[(2R,3S,4R,5R,6S)-3-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium > 1.99 > -0.18769999999999998 > -3.52 > 1 > 0 > 9 > 0 > 7.981080597142255 > 6.6476886095022705 > -3.947695409406125 > 501.95000000000016 > 309.25210000000004 > 23 > 0 > 4.02e-01 g/l > 3-{[(2R,3S,4R,5R,6S)-3-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium > 0 $$$$