LMPK12020168 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 12.1255 10.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1255 9.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0066 9.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8876 9.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8876 10.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0066 11.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7686 9.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6497 9.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6497 10.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7686 11.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5303 11.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4285 10.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3264 11.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3264 12.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4285 12.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5303 12.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0066 8.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2448 11.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7686 8.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0066 12.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2448 9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2240 12.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9673 12.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3345 6.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8182 4.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 5.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3262 7.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0180 6.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2511 7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4150 6.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6541 5.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7348 6.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5709 7.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6513 7.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9696 9.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0344 9.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3784 11.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9472 12.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6702 13.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 11.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 10.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6719 10.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3439 11.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9815 12.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 13.3025 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 1 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 1 18 1 0 0 0 0 7 19 1 6 0 0 0 6 20 1 0 0 0 0 2 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 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 1 0 0 29 17 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 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 1 0 0 40 18 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 M END > LMPK12020168 > Eruberin B > 4,5,7-Trihydroxy-4'-methoxy-6,8-dimethylflavan 5,7-di-O-beta-D-glucopyranoside > C30H40O15 > 640.24 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > WZHCAAJIMBUYAS-KXKATYLASA-N > InChI=1S/C30H40O15/c1-11-26(44-29-24(38)22(36)20(34)17(9-31)42-29)12(2)28(45-30-25(39)23(37)21(35)18(10-32)43-30)19-15(33)8-16(41-27(11)19)13-4-6-14(40-3)7-5-13/h4-7,15-18,20-25,29-39H,8-10H2,1-3H3/t15-,16+,17+,18+,20+,21+,22-,23-,24+,25+,29-,30-/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C)C2O[C@@H](C3C=CC(OC)=CC=3)C[C@H](O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1C > - > - > - > - > - > - > 21636256 > - > - > - > - > - > 33090; 173878 > - $$$$