LMPK12010126 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 999 V2000 9.8084 12.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8084 11.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6715 11.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 11.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 12.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6715 13.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3978 11.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2609 11.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2609 12.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3978 13.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1237 13.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0033 12.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8830 13.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8830 14.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0033 14.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1237 14.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6715 10.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0033 15.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1671 11.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9457 13.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7624 14.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6573 8.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9237 7.1668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2096 8.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 10.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4593 9.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8073 9.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8002 8.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 8.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0737 8.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0807 9.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 10.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2049 10.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8867 8.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6063 7.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9420 9.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1461 6.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5832 10.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5646 10.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9051 9.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2649 8.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2835 8.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6433 7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3598 12.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3445 12.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1701 10.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6123 9.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1951 10.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7725 11.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7673 11.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1799 10.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6024 9.6860 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 3 17 1 0 0 0 0 15 18 1 0 0 0 0 19 8 1 0 0 0 0 1 20 1 0 0 0 0 14 21 1 0 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 1 0 0 27 17 1 1 0 0 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 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 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 52 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 48 33 1 1 0 0 49 44 1 6 0 0 50 45 1 1 0 0 51 46 1 6 0 0 38 19 1 1 0 0 M CHG 1 10 1 M END > LMPK12010126 > Cyanidin 3-sambubioside-5-glucoside > 2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyloxy]-1-benzopyrylium > C32H39O20 > 743.20 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Cyanidin 3-(2-O-xylosylglucoside)-5-O-glucoside > OLBLWNPOURNBCY-MRBLLYQQSA-O > InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/p+1/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1 > - > - > 138860 > - > - > - > 10197243 > - > - > - > - > - > 33090; 57008 > - $$$$