LMPK12140153 LIPID_MAPS_STRUCTURE_DATABASE 41 46 0 0 0 0 0 0 0 0999 V2000 7.9357 12.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0197 11.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0203 10.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9369 10.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8528 10.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8522 11.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 9.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 8.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 9.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7694 10.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 7.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7712 7.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6871 7.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6864 8.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6036 7.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5195 7.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5189 8.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 9.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3254 9.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2419 8.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1578 9.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1572 10.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2406 10.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3248 10.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6041 6.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7717 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6124 10.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5289 10.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4448 10.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4442 11.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5276 12.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6118 11.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1816 9.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5724 11.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5300 12.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1471 13.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5563 13.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 12.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 11.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 10.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1402 7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 11 1 0 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 9 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 17 19 1 6 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 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 15 25 2 0 0 0 0 12 26 1 0 0 0 0 10 27 1 1 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 4 33 1 6 0 0 0 5 34 1 1 0 0 0 6 35 2 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 38 2 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 11 41 1 0 0 0 0 M END > LMPK12140153 > Leucadenone B > > C33H32O7 > 540.21 > Polyketides [PK] > Flavonoids [PK12] > Flavanones [PK1214] > - > > VAJKIKOYPOZJCO-SHHUEDPUSA-N > InChI=1S/C33H32O7/c1-17-26(35)23-20(34)16-21(18-12-8-6-9-13-18)39-28(23)24-22(19-14-10-7-11-15-19)25-29(36)31(2,3)30(37)32(4,5)33(25,38)40-27(17)24/h6-15,21-22,25,35,38H,16H2,1-5H3/t21-,22-,25-,33+/m0/s1 > C1(C)(C)C(=O)[C@]2([H])[C@@H](C3C=CC=CC=3)C3C4O[C@H](C5C=CC=CC=5)CC(=O)C=4C(O)=C(C)C=3O[C@@]2(O)C(C)(C)C1=O > - > - > 169470 > - > - > - > 15409091 > - > - > - > - > - > 33090; 164936 > - $$$$