LMPK12010429 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 7.3298 10.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3298 9.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 9.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1143 9.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1143 10.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 11.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 9.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8986 9.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8986 10.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 11.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7904 11.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6997 10.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6092 11.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6092 12.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6997 13.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7904 12.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 11.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5182 13.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 8.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9139 9.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6997 14.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5182 10.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 9.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4193 10.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1540 9.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3182 7.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8025 7.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9245 6.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7176 8.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5012 9.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 9.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4522 8.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6685 7.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7504 6.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1035 4.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1955 4.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1133 5.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4271 6.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9729 6.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5623 5.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 5.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0649 5.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4755 6.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9343 7.5540 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 20 8 1 0 0 0 0 15 21 1 0 0 0 0 13 22 1 0 0 0 0 2 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 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 43 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 0 0 0 43 44 1 6 0 0 39 28 1 1 0 0 40 35 1 6 0 0 41 36 1 6 0 0 42 37 1 1 0 0 29 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010429 > 6-Hydroxydelphinidin 3-rutinoside > 3',4',5,5',6,7-Hexahydroxy-3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]flavylium > C27H31O17 > 627.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ROXHSXZJNQVAKD-SFOXAOHTSA-O > InChI=1S/C27H30O17/c1-7-16(31)21(36)23(38)26(41-7)40-6-15-20(35)22(37)24(39)27(44-15)43-14-4-9-13(5-12(30)19(34)17(9)32)42-25(14)8-2-10(28)18(33)11(29)3-8/h2-5,7,15-16,20-24,26-27,31,35-39H,6H2,1H3,(H5-,28,29,30,32,33,34)/p+1/t7-,15+,16-,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)=C1O > - > - > - > - > - > - > 101696908 > - > - > - > - > - > 33090; 56741 > - $$$$