LMPK12010329 LIPID_MAPS_STRUCTURE_DATABASE 94102 0 0 0 999 V2000 8.5170 15.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5170 14.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3955 13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2741 14.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2741 15.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3955 15.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1527 13.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0312 14.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0312 15.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1527 15.7288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9860 15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 15.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7431 15.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7431 16.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 17.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9860 16.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5304 17.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0868 13.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 15.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3955 12.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 18.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5609 15.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 9.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8605 10.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2003 10.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8562 10.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1915 11.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 12.0801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0452 10.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5222 9.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0582 10.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5811 11.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5940 11.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0847 10.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0988 10.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6227 11.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1321 12.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1178 12.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6355 11.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1996 20.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4852 21.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4309 21.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4829 18.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5931 20.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5049 18.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1724 19.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8178 20.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7906 20.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1231 19.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 19.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7519 11.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4661 10.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5204 10.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4685 13.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3583 11.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4464 12.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7790 11.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1335 11.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1607 11.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8283 12.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8554 12.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5522 15.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6898 13.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8513 12.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7263 13.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5804 11.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1452 14.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1328 14.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7020 13.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2828 12.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2950 12.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8758 11.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0782 6.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5552 5.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0912 6.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6141 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6270 7.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1177 6.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1318 6.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6557 7.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1651 7.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1508 8.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6685 7.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5852 11.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7228 9.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8843 7.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7594 9.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6135 7.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1782 10.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1659 10.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7350 9.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3158 8.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3280 8.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9088 7.8260 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 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 45 21 1 1 0 0 46 40 1 6 0 0 47 41 1 1 0 0 48 42 1 6 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 56 18 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 6 0 0 27 55 1 0 0 0 0 66 72 1 0 0 0 71 65 1 0 0 0 65 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 1 0 0 68 62 1 6 0 0 69 63 1 1 0 0 70 64 1 6 0 0 29 66 1 0 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 88 94 1 0 0 0 93 87 1 0 0 0 87 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 0 0 0 93 94 1 1 0 0 90 84 1 6 0 0 91 85 1 1 0 0 92 86 1 6 0 0 73 88 1 0 0 0 67 22 1 1 0 0 89 39 1 1 0 0 M CHG 1 10 1 M END > LMPK12010329 > Ternatin C1 > 3-[[6-O-(3-Hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]-3'-[[6-O-[4-[[6-O-(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]oxy]-trans-cinnamoyl]-beta-D-glucopyranosyl]oxy]-5'-[(beta-D-glucopyranosyl)oxy]-4',5,7-trihydroxyflavylium > C60H65O34 > 1329.34 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > FXZMULPLRTXRTF-XSNITHBASA-O > InChI=1S/C60H64O34/c61-19-35-44(71)48(75)53(80)58(91-35)88-32-13-25(56-34(17-29-30(64)15-27(63)16-31(29)87-56)90-60-55(82)51(78)47(74)38(94-60)22-85-42(69)18-39(65)66)14-33(43(32)70)89-59-54(81)50(77)46(73)37(93-59)21-84-41(68)12-6-24-3-9-28(10-4-24)86-57-52(79)49(76)45(72)36(92-57)20-83-40(67)11-5-23-1-7-26(62)8-2-23/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70)/p+1/b12-6+/t35-,36-,37-,38-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55-,57-,58-,59-,60-/m1/s1 > C1(O)=CC2[O+]=C(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C7C=CC(O)=CC=7)=O)O6)=CC=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 > - > - > - > - > - > - > 44256934 > - > - > - > - > - > 33090; 43366 > 9834153 $$$$