LMPK12010337 LIPID_MAPS_STRUCTURE_DATABASE 91 98 0 0 0 999 V2000 16.6532 13.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6532 12.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5268 11.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4006 12.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4006 13.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5268 13.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2744 11.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1481 12.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1481 13.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2744 13.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0978 13.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9715 13.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8453 13.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8453 14.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9715 15.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0978 14.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6283 15.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1982 11.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9438 13.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5268 10.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9715 16.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6585 13.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9469 4.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4511 5.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4435 5.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9627 6.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4667 7.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4590 7.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8084 14.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2934 15.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7860 16.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2860 15.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7710 16.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7636 16.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 17.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2391 17.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7459 16.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2616 15.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2703 15.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 16.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 14.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7615 14.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7242 18.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7168 18.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6602 8.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1405 7.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6676 8.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1553 7.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1626 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6509 6.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6596 6.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1801 7.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6919 8.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6831 8.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1874 7.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2117 9.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2189 9.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1472 6.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1545 6.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7573 11.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9557 10.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3462 11.9053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2355 13.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0457 13.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9524 12.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0490 11.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2443 12.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3377 13.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5327 13.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7065 10.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3486 8.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4857 7.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0859 10.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9757 7.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0208 10.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7751 9.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5944 8.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6630 8.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9088 9.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9774 8.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4598 14.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0745 12.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8858 10.9331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3728 11.6638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9814 9.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4649 12.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3654 13.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1739 12.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0795 11.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1791 11.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0847 10.1088 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 15 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 36 43 1 0 0 0 0 43 44 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 52 55 1 0 0 0 0 53 56 1 0 0 0 0 56 57 1 0 0 0 0 51 58 1 0 0 0 0 58 59 1 0 0 0 0 68 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 1 0 0 64 19 1 1 0 0 65 60 1 6 0 0 66 61 1 1 0 0 67 62 1 6 0 0 74 80 1 0 0 0 79 73 1 0 0 0 73 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 1 0 0 75 18 1 1 0 0 76 70 1 6 0 0 77 71 1 1 0 0 78 72 1 6 0 0 85 91 1 0 0 0 90 84 1 0 0 0 84 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 88 89 1 0 0 0 89 90 1 0 0 0 90 91 1 1 0 0 86 22 1 1 0 0 87 81 1 6 0 0 88 82 1 1 0 0 89 83 1 6 0 0 85 45 1 0 0 0 0 27 74 1 0 0 0 0 69 29 1 0 0 0 M CHG 1 10 1 M END > LMPK12010337 > Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside) > 3,5,7,3',4',5'-Hexahydroxyflavylium 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside) > C58H63O33 > 1287.33 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > TUHQUCFOKRCXRT-XVXLMJRJSA-O > InChI=1S/C58H62O33/c1-78-30-9-22(10-31(79-2)44(30)67)5-7-40(63)82-19-36-46(69)49(72)52(75)56(89-36)85-25-15-27(59)26-17-35(88-58-54(77)51(74)48(71)38(91-58)21-84-42(65)18-39(61)62)55(86-29(26)16-25)24-13-28(60)43(66)34(14-24)87-57-53(76)50(73)47(70)37(90-57)20-83-41(64)8-6-23-11-32(80-3)45(68)33(12-23)81-4/h5-17,36-38,46-54,56-58,69-77H,18-21H2,1-4H3,(H5-,59,60,61,62,63,64,66,67,68)/p+1/t36-,37-,38-,46-,47-,48-,49+,50+,51+,52-,53-,54-,56-,57-,58-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=C(OC)C(O)=C(OC)C=3)=O)O2)=CC2[O+]=C(C3C=C(O)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=C(OC)C(O)=C(OC)C=5)=O)O4)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O3)=CC=2C(O)=C1 > - > - > - > - > - > - > 44256942 > - > - > - > - > - > 33090; 38198 > - $$$$