LMPK12010294 LIPID_MAPS_STRUCTURE_DATABASE 45 49 0 0 0 999 V2000 7.6160 12.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 11.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 10.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 11.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 12.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 12.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2665 10.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 11.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 12.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2665 12.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0333 12.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9338 12.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8343 12.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8343 13.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9338 14.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0333 13.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 12.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7346 14.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 9.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7898 10.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9338 15.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7827 5.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 4.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6935 5.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1849 4.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3063 4.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7903 3.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7586 3.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2428 4.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7586 5.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7903 5.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2102 4.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7346 12.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2423 5.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7848 10.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9212 9.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0622 7.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9287 8.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7734 6.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3578 9.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3552 9.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9238 8.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4942 8.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4968 7.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0672 7.0956 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 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 29 32 1 0 0 0 0 13 33 1 0 0 0 0 30 34 1 0 0 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 20 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 39 22 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010294 > > Delphinidin 3-caffeylglucoside > C30H27O15 > 627.14 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > CPESTIBYQUOXSA-LHRGPQAGSA-O > InChI=1S/C30H26O15/c31-14-8-17(33)15-10-22(29(43-21(15)9-14)13-6-19(35)25(38)20(36)7-13)44-30-28(41)27(40)26(39)23(45-30)11-42-24(37)4-2-12-1-3-16(32)18(34)5-12/h1-10,23,26-28,30,39-41H,11H2,(H6-,31,32,33,34,35,36,37,38)/p+1/t23-,26-,27+,28-,30-/m1/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](COC(/C=C/C4C=C(O)C(O)=CC=4)=O)O3)=CC=2C(O)=C1 > C16367 > - > 80474 > - > - > - > 11157896 > - > - > - > - > - > 33090 > - $$$$