LMPK12010363 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 999 V2000 8.5835 12.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4911 12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4911 13.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5835 14.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 13.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 12.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 13.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 14.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1709 14.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0386 13.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 14.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 15.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0386 15.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1709 15.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0328 16.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6224 15.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 14.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5835 11.6443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1556 12.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7393 17.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6012 14.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6465 11.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2885 9.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3551 8.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9200 11.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7817 8.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8904 11.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6797 10.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4990 9.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5323 9.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7429 10.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7761 9.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1142 12.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1015 11.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6172 10.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8999 9.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6382 10.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3720 11.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3677 11.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6255 10.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8917 9.5517 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 2 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 3 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 15 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 17 22 1 0 0 0 0 13 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 39 24 1 1 0 0 40 35 1 6 0 0 41 36 1 1 0 0 42 37 1 6 0 0 29 21 1 1 0 0 M CHG 1 10 1 M END > LMPK12010363 > Petunidin 3-sambubioside > 3,5,7,3',4'-Pentahydroxy-5'-methoxyflavylium 3-xylosyl-(1->2)-glucoside > C27H31O16 > 611.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Petunidin 3-(2-xylosylglucoside); Petunidin 3-O-beta-D-sambubioside > GUVCTUQWASBOTK-SNQPDBAWSA-O > InChI=1S/C27H30O16/c1-38-16-3-9(2-13(31)19(16)33)24-17(6-11-12(30)4-10(29)5-15(11)40-24)41-27-25(22(36)21(35)18(7-28)42-27)43-26-23(37)20(34)14(32)8-39-26/h2-6,14,18,20-23,25-28,32,34-37H,7-8H2,1H3,(H3-,29,30,31,33)/p+1/t14-,18-,20+,21-,22+,23-,25-,26+,27-/m1/s1 > C1(O)=CC(O)=CC2[O+]=C(C3C=C(OC)C(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)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC1=2 > - > - > - > - > - > - > 101006856 > - > - > - > - > - > 33090; 180765 > - $$$$