LMPK12010201 LIPID_MAPS_STRUCTURE_DATABASE 53 58 0 0 0 999 V2000 13.1552 10.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0267 11.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0267 12.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1552 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2835 12.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2835 11.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8983 10.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7699 11.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7699 12.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8983 12.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6002 12.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4334 12.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2667 12.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2667 13.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4334 13.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6002 13.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4334 14.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9545 13.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 12.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1552 9.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7381 10.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3542 9.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9950 7.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0548 6.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6181 9.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4759 6.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5919 9.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3840 8.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2026 7.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2327 7.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4404 8.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4702 7.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8205 4.7234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2265 3.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2931 4.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7093 6.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6816 6.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8539 5.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 4.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0875 4.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9152 5.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9485 6.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5557 10.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7570 9.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9783 10.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7788 12.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 11.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6737 11.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6664 10.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7641 10.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8749 10.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8823 11.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 12.4541 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 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 28 22 1 6 0 0 29 23 1 1 0 0 30 24 1 6 0 0 41 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 0 0 0 41 42 1 6 0 0 37 26 1 1 0 0 38 33 1 6 0 0 39 34 1 6 0 0 40 35 1 1 0 0 27 21 1 1 0 0 47 53 1 0 0 0 52 46 1 0 0 0 46 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 0 0 0 52 53 1 1 0 0 48 19 1 1 0 0 49 43 1 6 0 0 50 44 1 1 0 0 51 45 1 6 0 0 M CHG 1 10 1 M END > LMPK12010201 > Cyanidin 3-O-beta-rutinoside-7-O-beta-glucoside > 3,5,7,3',4'-Pentahydroxyflavylium 3-O-beta-rutinoside-7-O-beta-glucoside > C33H41O20 > 757.22 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > YSYVNABMYLOVHC-HWKLKBEVSA-O > InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-15(36)5-12(49-32-28(45)25(42)22(39)19(8-34)52-32)6-17(13)50-30(18)11-2-3-14(35)16(37)4-11/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1 > C1(O)=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O)[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)=CC1=2 > - > - > - > - > - > - > 25087682 > - > - > - > - > - > 33090; 4688 > - $$$$