LMPK12010262 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.2767 12.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2767 11.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 10.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0753 11.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0753 12.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 12.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 10.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8740 11.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8740 12.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 12.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7729 12.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6897 12.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6062 12.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6062 13.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6897 14.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7729 13.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 12.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5226 14.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1759 9.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8857 10.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6897 15.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5226 12.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6927 10.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1834 8.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8441 7.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4365 9.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1075 9.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0231 9.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2677 8.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5982 8.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6825 8.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0129 7.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0310 5.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 5.0118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 5.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4023 7.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2226 7.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2159 6.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3889 5.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5738 6.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 7.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 7.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 7.8685 0.0000 O 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 21 1 0 0 0 0 13 22 1 0 0 0 0 31 26 1 0 0 0 26 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 28 23 1 6 0 0 29 24 1 1 0 0 30 25 1 1 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 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 6 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 20 1 1 0 0 32 43 1 0 0 0 37 43 1 1 0 0 M CHG 1 10 1 M END > LMPK12010262 > Vincanin B > Delphinidin 3-(6-rhamnosylgalactoside) > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > PLKUTZNSKRWCCA-IWFRRVTPSA-O > InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20-,21+,22-,23+,24+,26+,27+/m0/s1 > C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)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 > - > - > - > - > - > - > 178335853 > - > - > - > - > - > 33090; 217052 > - $$$$