LMPK12010223 LIPID_MAPS_STRUCTURE_DATABASE 86 93 0 0 0 999 V2000 3.4408 12.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4408 11.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 11.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 11.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 12.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 13.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1001 11.0389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 11.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 12.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1001 13.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 13.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8365 12.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 13.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 14.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8365 14.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 14.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5171 14.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0515 10.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 12.9898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 10.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5230 12.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 13.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9388 4.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 5.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 5.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 6.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3865 7.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3643 7.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 8.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 14.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4156 15.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 14.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 13.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4822 13.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9939 14.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0176 14.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5294 13.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0176 12.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9939 12.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5516 13.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7348 15.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6359 15.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 11.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9925 10.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 11.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0133 13.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8664 12.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 11.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9993 11.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1517 11.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 12.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 13.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0423 13.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8903 13.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2158 11.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6115 11.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4452 12.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2049 12.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1309 12.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2935 11.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5338 11.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6965 10.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8995 10.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 8.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7105 7.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4561 9.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2167 9.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1406 9.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 8.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5453 8.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6214 8.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8627 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 9.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1054 9.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3464 9.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 8.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6653 7.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 6.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5075 6.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 5.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0684 4.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0273 4.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2263 5.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 3.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4735 4.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2984 3.6565 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 13 21 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 27 29 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 36 41 1 0 0 0 0 41 42 1 0 0 0 0 22 30 1 0 0 0 0 51 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 0 0 0 50 51 1 0 0 0 51 52 1 1 0 0 47 19 1 1 0 0 48 43 1 6 0 0 49 44 1 1 0 0 50 45 1 6 0 0 52 22 1 0 0 0 61 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 0 0 0 61 62 1 1 0 0 57 21 1 1 0 0 58 53 1 6 0 0 59 54 1 1 0 0 60 55 1 6 0 0 71 66 1 0 0 0 66 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 67 18 1 1 0 0 68 63 1 6 0 0 69 64 1 1 0 0 70 65 1 6 0 0 72 29 1 0 0 0 62 73 1 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 76 77 2 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 83 78 1 0 0 0 0 81 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 73 74 1 0 0 0 0 M CHG 1 10 1 M END > LMPK12010223 > Cyanidin 3-(6-malonylglucoside)-7,3'-di-(6-feruloylglucoside) > 7-[6-O-[3-(4-Hydroxy-3-methoxyphenyl)acryloyl]-beta-D-glucopyranosyloxy]-5-hydroxy-3-[6-O-(carboxyacetyl)-beta-D-glucopyranosyloxy]-3'-[6-O-[3-(4-hydroxy-3-methoxyphenyl)acryloyl]-beta-D-glucopyranosyloxy ]-4'-hydroxyanthocyanidin > C56H59O30 > 1211.31 > Polyketides [PK] > Flavonoids [PK12] > Anthocyanidins [PK1201] > - > > ANYMKWHMWQBQSY-LGWAIRDYSA-O > InChI=1S/C56H58O30/c1-75-33-13-23(3-8-28(33)57)5-11-41(63)77-20-37-44(66)47(69)50(72)54(84-37)80-26-16-31(60)27-18-36(83-56-52(74)49(71)46(68)39(86-56)22-79-43(65)19-40(61)62)53(81-32(27)17-26)25-7-10-30(59)35(15-25)82-55-51(73)48(70)45(67)38(85-55)21-78-42(64)12-6-24-4-9-29(58)34(14-24)76-2/h3-18,37-39,44-52,54-56,66-74H,19-22H2,1-2H3,(H4-,57,58,59,60,61,62,63,64)/p+1/t37-,38-,39-,44-,45-,46-,47+,48+,49+,50-,51-,52-,54-,55-,56-/m1/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(OC)C=3)=O)O2)=CC2[O+]=C(C3C=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5C=CC(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 > - > - > - > - > - > - > 44256828 > - > - > - > - > - > 33090; 36459 > - $$$$