LMPK12110281 LIPID_MAPS_STRUCTURE_DATABASE 47 51 0 0 0 999 V2000 5.7886 6.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 7.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0847 6.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5232 3.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5232 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2380 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2380 3.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 3.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0956 1.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9528 2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9528 3.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0956 3.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0956 1.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6661 3.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 0.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9053 3.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8088 3.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7126 3.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7126 4.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8088 5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9053 4.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6152 5.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6655 4.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6657 6.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3948 7.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2633 5.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9475 7.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3960 4.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5302 5.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5317 6.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3960 6.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2618 6.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1265 6.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1248 3.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2504 4.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9203 6.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5617 6.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7301 5.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9597 4.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0207 4.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8557 5.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6261 6.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4611 7.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3131 4.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5427 3.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1462 5.6116 0.0000 C 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 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 10 14 2 0 0 0 0 4 15 1 0 0 0 0 6 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 17 12 1 0 0 0 0 20 23 1 0 0 0 0 28 34 1 0 0 0 33 27 1 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 1 0 0 30 24 1 6 0 0 31 25 1 1 0 0 32 26 1 6 0 0 29 9 1 1 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 6 0 0 39 24 1 1 0 0 40 35 1 6 0 0 41 36 1 6 0 0 42 37 1 1 0 0 37 1 1 0 0 0 0 36 45 1 0 0 0 45 46 2 0 0 0 45 47 1 0 0 0 M END > LMPK12110281 > Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside > > C31H34O16 > 662.18 > Polyketides [PK] > Flavonoids [PK12] > Flavones and Flavonols [PK1211] > - > > YSGRAAYVNSIFGD-LPSKBFPWSA-N > InChI=1S/C31H34O16/c1-11-26(43-12(2)33)30(44-13(3)34)25(41)31(42-11)47-29-24(40)23(39)20(10-32)46-28(29)22-17(37)8-16(36)21-18(38)9-19(45-27(21)22)14-4-6-15(35)7-5-14/h4-9,11,20,23-26,28-32,35-37,39-41H,10H2,1-3H3/t11-,20+,23+,24-,25+,26-,28-,29+,30-,31-/m0/s1 > C(O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C2=C(O)C=C(O)C3C(=O)C=C(C4C=CC(O)=CC=4)OC=32)[C@H](O)[C@@H]1OC(C)=O)(C)=O > - > - > - > - > - > - > 102404325 > - > - > - > - > - > 33090 > - $$$$