LMPK12010234 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 7.4963 11.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 10.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 10.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2515 10.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2515 11.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 12.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1293 10.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0069 10.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0069 11.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1293 12.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8844 12.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7788 11.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6733 12.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6733 13.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7788 14.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8844 13.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6189 12.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3320 14.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 9.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9165 9.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7715 14.8918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5264 15.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0047 9.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6777 7.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4139 6.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7710 8.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9725 5.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4039 9.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3727 8.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7088 7.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0769 7.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1081 7.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4762 6.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1446 11.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1038 11.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9187 9.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3940 8.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9821 9.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5520 10.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5340 10.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9413 9.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3713 8.5040 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 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 27 33 1 0 0 0 32 26 1 0 0 0 26 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 0 0 0 32 33 1 1 0 0 29 23 1 6 0 0 30 24 1 1 0 0 31 25 1 6 0 0 42 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 0 0 0 38 23 1 1 0 0 39 34 1 6 0 0 40 35 1 1 0 0 41 36 1 6 0 0 28 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010234 > Peonidin 3-sambubioside > 3,4?,5,7-Tetrahydroxy-3?-methoxyflavylium 3-beta-D-xylosyl-(1->2)-beta-D-glucoside > C27H31O15 > 595.17 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > PYUGATAPBPHGFK-UVSNCIQKSA-O > InChI=1S/C27H30O15/c1-37-17-4-10(2-3-13(17)30)24-18(7-12-14(31)5-11(29)6-16(12)39-24)40-27-25(22(35)21(34)19(8-28)41-27)42-26-23(36)20(33)15(32)9-38-26/h2-7,15,19-23,25-28,32-36H,8-9H2,1H3,(H2-,29,30,31)/p+1/t15-,19-,20+,21-,22+,23-,25-,26+,27-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(OC)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)=C1 > - > - > - > - > - > - > 101006858 > - > - > - > - > - > 33090; 40008 > - $$$$