LMPK12050021 LIPID_MAPS_STRUCTURE_DATABASE 39 43 0 0 0 999 V2000 21.1572 5.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0525 5.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0854 7.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8778 6.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5910 6.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6170 6.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3053 6.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5423 6.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1518 5.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8589 10.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6882 10.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6814 9.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5106 8.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3521 9.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3589 10.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1192 10.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5243 10.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 8.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5039 8.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1814 8.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 10.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3847 7.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5385 9.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4290 8.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4290 7.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5385 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6484 7.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6484 8.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7865 7.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9569 8.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0587 9.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7865 10.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7175 10.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7175 9.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7865 8.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8549 9.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8549 10.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9569 10.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0587 10.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 3 1 0 0 0 7 6 1 0 0 0 3 4 1 0 0 0 6 5 1 0 0 0 4 5 1 0 0 0 5 1 1 1 0 0 6 2 1 1 0 0 5 8 1 0 0 0 8 9 1 0 0 0 12 18 1 6 0 0 13 19 1 1 0 0 14 20 1 6 0 0 15 21 1 1 0 0 11 10 1 1 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 15 14 1 0 0 0 17 15 1 0 0 0 11 17 1 0 0 0 16 10 1 0 0 0 39 21 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 34 28 1 0 0 0 0 35 29 2 0 0 0 0 30 36 1 0 0 0 0 31 30 2 0 0 0 0 39 31 1 0 0 0 0 32 37 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 38 2 0 0 0 0 7 22 1 6 0 0 M END > LMPK12050021 > Daidzein 7-O-glucoside-4'-O-apioside > 7,4'-Dihydroxyisoflavone 7-O-glucoside-4'-O-apioside > C26H28O13 > 548.15 > Polyketides [PK] > Flavonoids [PK12] > Isoflavonoids [PK1205] > - > Neobanin > CLSSVAPYJUYEAY-YRCFQSNFSA-N > InChI=1S/C26H28O13/c27-8-18-20(30)21(31)22(32)24(39-18)38-14-5-6-15-17(7-14)35-9-16(19(15)29)12-1-3-13(4-2-12)37-25-23(33)26(34,10-28)11-36-25/h1-7,9,18,20-25,27-28,30-34H,8,10-11H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1 > O[C@]1(CO)CO[C@@H](OC2=CC=C(C3C(C4=C(C=C(C=C4)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)OC=3)=O)C=C2)[C@@H]1O > - > - > - > - > - > - > 20056176 > - > - > - > - > - > 1888375; 33090 > - $$$$