LMPK12140388 LIPID_MAPS_STRUCTURE_DATABASE 43 47 0 0 0 0 0 0 0 0999 V2000 15.6641 8.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5524 9.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6680 7.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5614 7.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4495 7.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4450 8.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3422 7.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2303 7.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2257 8.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3331 9.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0406 9.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9329 8.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8214 9.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8173 10.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9250 10.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0365 10.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3435 6.3758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8846 9.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5614 6.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6348 10.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6073 8.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2092 9.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7160 10.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1947 11.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1665 11.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6597 10.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 9.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6749 8.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 10.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 12.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7428 10.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2489 11.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0425 7.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4191 6.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6430 6.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1821 9.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0755 8.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1545 7.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3400 7.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4520 7.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3731 8.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4850 8.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3188 9.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 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 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 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 22 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 2 0 0 0 0 41 36 1 0 0 0 36 37 1 0 0 0 37 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 1 0 0 37 18 1 1 0 0 38 33 1 6 0 0 39 34 1 1 0 0 40 35 1 6 0 0 42 43 1 0 0 0 31 43 1 0 0 0 0 M END > LMPK12140388 > > (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside) > C28H26O15 > 602.13 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > SHPCBRSOJXQRDY-RKLFNRSMSA-N > InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2/t19-,21+,24+,25-,26+,28+/m0/s1 > C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C3C=C(O)C(O)=C(O)C=3)O2)C=C(O)C2C(=O)C[C@@H](C3C=CC(O)=C(O)C=3)OC=2C=1 > - > - > 85145 > - > - > - > 10930068 > - > - > - > - > - > 33090; 296036 > 12045344 $$$$