LMPK12010024 LIPID_MAPS_STRUCTURE_DATABASE 52 57 0 0 0 999 V2000 7.6264 12.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6264 11.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4722 11.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3181 11.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3181 12.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4722 13.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1638 11.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0096 11.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0096 12.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1638 13.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8550 13.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7171 12.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 13.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 14.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7171 14.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8550 14.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 14.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7808 13.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4722 10.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8861 11.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6575 9.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3615 7.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3812 7.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3272 10.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 8.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3226 10.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6673 9.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 8.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0267 8.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6820 9.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6918 9.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 7.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 6.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1785 8.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 9.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1905 8.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 7.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7506 7.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 8.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 9.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 10.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9641 10.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9470 10.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6191 8.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9871 7.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3201 6.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6469 8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3001 9.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2938 9.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6297 8.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9765 7.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3124 6.8705 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 40 41 1 6 0 0 36 25 1 1 0 0 37 32 1 6 0 0 38 33 1 6 0 0 39 34 1 1 0 0 26 20 1 1 0 0 46 52 1 0 0 0 51 45 1 0 0 0 45 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 1 0 0 47 21 1 1 0 0 48 42 1 6 0 0 49 43 1 1 0 0 50 44 1 6 0 0 M CHG 1 10 1 M END > LMPK12010024 > Pelargonidin 3-(2G-glucosylrutinoside) > 2-(4-Hydroxyphenyl)-3-[[2-O-(beta-D-glucopyranosyl)-6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium > C33H41O19 > 741.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > YGSWCXGIDLPEGH-BDODLKNYSA-O > InChI=1S/C33H40O19/c1-11-21(38)24(41)27(44)31(47-11)46-10-20-23(40)26(43)30(52-32-28(45)25(42)22(39)19(9-34)50-32)33(51-20)49-18-8-15-16(37)6-14(36)7-17(15)48-29(18)12-2-4-13(35)5-3-12/h2-8,11,19-28,30-34,38-45H,9-10H2,1H3,(H2-,35,36,37)/p+1/t11-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,30+,31+,32-,33+/m0/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)[C@@H](CO)O4)[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)=C1 > - > - > - > - > - > - > 100973399 > - > - > - > - > - > 33090; 3681 > - $$$$