LMPK12111941 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 0 0 0 0 0999 V2000 12.4666 16.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4666 15.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3738 15.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2809 15.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2809 16.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3738 17.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5597 15.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6525 15.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7454 15.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7454 14.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6525 13.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5597 14.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8385 15.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 15.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 14.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8385 13.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6525 12.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0242 15.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3294 13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0434 17.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8385 12.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8406 11.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1535 10.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6564 10.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2945 10.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 10.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8486 10.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 9.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 9.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 10.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 11.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 11.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 10.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 8.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0404 12.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0263 10.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 9.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4596 12.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3236 12.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1791 12.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1707 11.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3095 10.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4540 11.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5927 10.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 29 34 1 0 0 0 0 43 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 0 0 0 42 43 1 0 0 0 43 44 1 1 0 0 39 19 1 1 0 0 40 35 1 6 0 0 41 36 1 1 0 0 42 37 1 6 0 0 22 44 1 0 0 0 M END > LMPK12111941 > Kaempferol 3-(6''-caffeoylglucoside) > 3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy ]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one > C30H26O14 > 610.13 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > GZORMMCZSCNNCI-QPFSIERHSA-N > InChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+/t21-,24-,26+,27-,30+/m1/s1 > C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3C=CC(O)=C(O)C=3)=O)O2)C(=O)C2C(O)=CC(O)=CC=2O1 > - > - > - > - > - > - > 15516397 > - > - > - > - > - > 33090; 32101 > - $$$$