LMPK12010108 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 7.3862 13.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 12.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 11.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 12.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 13.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 13.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 11.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0033 12.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0033 13.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 13.7881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9861 13.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8903 13.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7945 13.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7945 14.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8903 15.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9861 14.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6049 15.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8186 11.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6522 13.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 10.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6300 13.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2069 10.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6814 8.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7713 7.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5987 10.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2952 8.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5576 10.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2518 10.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9871 9.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 8.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 9.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3829 9.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0551 12.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0268 12.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1450 10.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7544 9.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2520 9.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1902 10.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6144 11.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6027 11.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1618 10.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7376 9.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2967 8.8757 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 13 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 22 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 1 0 0 M CHG 1 10 1 M END > LMPK12010108 > Cyanidin 3-(2-glucosylgalactoside) > 3,5,7,3',4'-Pentahydroxyflavylium 3-(2-glucosylgalactoside) > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > SXYMMDGPXYVCER-BMMYDVPJSA-O > InChI=1S/C27H30O16/c28-7-17-19(34)21(36)23(38)26(41-17)43-25-22(37)20(35)18(8-29)42-27(25)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19+,20-,21+,22+,23-,25-,26+,27-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(O)=C(O)C=3)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 163187056 > - > - > - > - > - > 33090; 164435 > - $$$$