LMPK12010376 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.4012 10.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4013 9.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 9.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2119 9.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2119 10.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 11.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1173 9.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0225 9.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0225 10.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1174 11.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9275 11.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8503 10.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7731 11.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7731 12.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8503 12.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9276 12.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4962 11.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6864 12.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 8.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 9.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7026 10.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8503 13.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 14.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4904 11.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4928 10.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2432 9.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4089 7.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8703 7.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9934 5.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7846 8.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5755 9.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4524 8.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5349 7.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7441 7.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8269 6.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1650 4.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2396 3.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1478 5.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4824 6.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0332 5.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6189 4.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6539 4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1079 5.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5223 6.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9762 7.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 22 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 29 35 1 0 0 0 34 28 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 1 0 0 31 25 1 6 0 0 32 26 1 1 0 0 33 27 1 6 0 0 44 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 6 0 0 40 29 1 1 0 0 41 36 1 6 0 0 42 37 1 6 0 0 43 38 1 1 0 0 30 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010376 > Malvidin 3-rutinoside > 2-(4-Hydroxy-3,5-dimethoxyphenyl)-3-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium > C29H35O16 > 639.19 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > YCDMGCUGMVVWAB-FCYARAGISA-O > InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(42-10)41-9-19-22(34)24(36)26(38)29(45-19)44-18-8-13-14(31)6-12(30)7-15(13)43-27(18)11-4-16(39-2)21(33)17(5-11)40-3/h4-8,10,19-20,22-26,28-29,32,34-38H,9H2,1-3H3,(H2-,30,31,33)/p+1/t10-,19+,20-,22+,23+,24-,25+,26+,28+,29+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 101942241 > - > - > - > - > - > 33090; 89151 > - $$$$