LMPK12060031 LIPID_MAPS_STRUCTURE_DATABASE 42 47 0 0 0 999 V2000 11.8695 12.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6234 13.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5708 11.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4640 11.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3608 11.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3648 10.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2950 9.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2212 10.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2173 11.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2871 11.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5746 10.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4716 9.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2950 8.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1509 9.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1545 8.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0436 8.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9292 8.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9254 9.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0362 10.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6234 14.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2454 12.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2169 12.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7998 11.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0736 11.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1436 11.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9432 13.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2249 9.1253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4168 7.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2215 6.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3858 7.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8412 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9290 11.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1884 10.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4673 11.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2095 13.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7141 12.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0756 12.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0685 11.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1954 11.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 11.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 12.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4815 13.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 1 2 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 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 5 1 0 0 0 0 3 11 1 0 0 0 0 11 12 2 0 0 0 0 12 6 1 0 0 0 0 7 13 2 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 2 20 2 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 3 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 9 1 0 0 0 0 22 2 1 0 0 0 0 26 1 1 0 0 0 0 8 27 1 0 0 0 0 17 28 1 0 0 0 0 16 30 1 0 0 0 0 36 42 1 0 0 0 41 35 1 0 0 0 35 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 26 1 1 0 0 38 32 1 6 0 0 39 33 1 1 0 0 40 34 1 6 0 0 M END > LMPK12060031 > Dalbinol O-glucoside > > C29H32O13 > 588.18 > Polyketides [PK] > Flavonoids [PK12] > Rotenoid flavonoids [PK1206] > - > Dalbin > MLGRWAZPBZFAGL-NHPGOWOXSA-N > InChI=1S/C29H32O13/c1-12(10-39-28-25(33)24(32)23(31)21(9-30)41-28)17-6-14-16(40-17)5-4-13-26(14)42-22-11-38-18-8-20(37-3)19(36-2)7-15(18)29(22,35)27(13)34/h4-5,7-8,17,21-25,28,30-33,35H,1,6,9-11H2,2-3H3/t17?,21-,22?,23-,24+,25-,28-,29?/m1/s1 > C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C(C1OC2C=CC3C(=O)C4(O)C5C(OCC4OC=3C=2C1)=CC(OC)=C(OC)C=5)=C > - > - > - > - > - > - > 44257405 > - > - > - > - > - > 33090; 1288010 > - $$$$