LMPK12010017 LIPID_MAPS_STRUCTURE_DATABASE 40 44 0 0 0 999 V2000 7.7326 12.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 11.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 10.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4337 11.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4337 12.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 12.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2843 10.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1350 11.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1350 12.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2843 12.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9850 12.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8520 12.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7190 12.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7190 13.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8520 14.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9850 13.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5856 14.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 12.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 9.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7826 10.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7955 10.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4953 8.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1812 7.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4729 9.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6825 6.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 9.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1383 9.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4878 8.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8307 7.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8234 8.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1663 7.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9808 12.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0179 12.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8653 10.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2401 9.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8118 10.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4044 11.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4255 11.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8490 10.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2563 9.4047 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 25 31 1 0 0 0 30 24 1 0 0 0 24 26 1 0 0 0 26 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 1 0 0 27 21 1 6 0 0 28 22 1 1 0 0 29 23 1 6 0 0 40 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 36 21 1 1 0 0 37 32 1 6 0 0 38 33 1 1 0 0 39 34 1 6 0 0 26 20 1 1 0 0 M CHG 1 10 1 M END > LMPK12010017 > Pelargonidin 3-sambubioside > 3,5,7,4'-Tetrahydroxyflavylium 3-xylosyl-(1->2)-glucoside > C26H29O14 > 565.16 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > Pelargonidin 3-xylosylglucoside > NKUOSFBSKVBOJC-AOBOYTTNSA-O > InChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1 > C1(O)=CC2[O+]=C(C3C=CC(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 > - > - > 74809 > - > - > - > 71627264 > - > - > - > - > - > 33090; 26254 > - $$$$