LMPK12020067 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 12.3581 8.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3581 7.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2388 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1194 7.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1194 8.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2388 9.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 7.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8806 7.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8806 8.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 9.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7612 9.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6493 8.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5372 9.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5372 10.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6493 10.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7612 10.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3869 10.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4775 9.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7612 7.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6493 11.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2388 6.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2921 7.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5029 6.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 7.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7808 9.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2831 9.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5855 8.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4928 7.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5954 7.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7962 8.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8889 9.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0896 9.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6632 13.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3743 14.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0660 13.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3534 11.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8065 12.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5021 12.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5091 13.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3674 13.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2132 13.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2062 12.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0522 11.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 6 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 3 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 18 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 38 20 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 M END > LMPK12020067 > Catechin 7,3'-di-O-beta-D-glucopyranoside > (2R,3S)-3,5,7,3',4'-Pentahydroxyflavan 7,3'-di-O-beta-D-glucopyranoside > C27H34O16 > 614.18 > Polyketides [PK] > Flavonoids [PK12] > Flavans, Flavanols and Leucoanthocyanidins [PK1202] > - > > QTRNMQGMJVCPJM-SAEBQBNLSA-N > InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-10-4-13(31)11-6-14(32)25(40-15(11)5-10)9-1-2-12(30)16(3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,14,17-38H,6-8H2/t14-,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2O[C@H](C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=CC=3)[C@@H](O)CC2=C(O)C=1 > - > - > - > - > - > - > 21626707 > - > - > - > - > - > 33090; 3621 > - $$$$