LMPK12010059 LIPID_MAPS_STRUCTURE_DATABASE 83 90 0 0 0 999 V2000 9.2159 28.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2159 27.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 27.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0847 27.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0847 28.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 29.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0189 27.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9535 27.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9535 28.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0189 29.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8873 29.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8398 28.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7921 29.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7921 30.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8398 30.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8873 30.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2817 29.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7440 30.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1502 26.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8885 24.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3829 25.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3155 23.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1701 23.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 22.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6114 22.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1179 21.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6115 20.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 20.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0920 21.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 19.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3337 21.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9291 19.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4787 18.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8395 20.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1873 23.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4538 22.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 23.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4536 26.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9627 25.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3232 25.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3232 24.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4536 23.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 24.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5897 25.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 26.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2634 25.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3515 25.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5819 27.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 27.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0867 27.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 28.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1139 26.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1139 24.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8475 23.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5757 24.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8476 26.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3386 25.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9780 25.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9780 24.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8476 24.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7116 24.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7116 25.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5757 26.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1844 23.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6802 21.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1040 20.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5745 22.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8611 23.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8964 23.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6449 22.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3568 21.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3215 21.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1717 26.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1516 25.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1717 27.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1112 28.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1112 29.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0651 30.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0651 31.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1112 31.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1574 31.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1574 30.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1112 33.0845 0.0000 O 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 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 28 32 1 0 0 0 0 26 31 1 0 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 39 45 1 0 0 0 44 38 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 39 46 1 0 0 0 0 40 19 1 1 0 0 57 63 1 0 0 0 62 56 1 0 0 0 56 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 6 0 0 58 52 1 6 0 0 59 53 1 1 0 0 60 54 1 6 0 0 61 55 1 1 0 0 72 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 68 53 1 6 0 0 69 64 1 1 0 0 70 65 1 6 0 0 71 66 1 1 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 82 77 1 0 0 0 0 80 83 1 0 0 0 0 57 73 1 0 0 0 0 64 20 1 0 0 0 0 52 8 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010059 > > Pelargonidin 3-(6''-p-coumaryl-2'''-sinapyl-sambubioside)-5-(6-malonylglucoside) > C55H57O28 > 1165.30 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > - > - > - > - > - > - > - > - > FL7AAAGL0045 > 44256664 > - > - > Active > - > https://dev.lipidmaps.org/databases/lmsd/LMPK12010059 $$$$