CDK 1030232203 29 32 0 0 0 0 0 0 0 0999 V2000 -3.3682 -1.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 -2.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 -2.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -0.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 -2.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 -3.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -2.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7537 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -3.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -1.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9310 -2.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8932 -4.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 -2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6919 -0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 -3.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -3.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -3.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 11 6 1 0 0 0 0 7 12 1 0 0 0 0 9 13 2 0 0 0 0 14 11 1 0 0 0 0 11 15 1 6 0 0 0 16 12 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 6 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 6 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 7 11 1 0 0 0 0 10 13 1 0 0 0 0 14 16 1 0 0 0 0 18 19 1 0 0 0 0 M END > CHEBI:226803 > Deschloro-merochlorin B > 2 > (1S,12S,13R)-4,6-dihydroxy-12-methyl-12-(4-methylpent-3-enyl)-15-propan-2-ylidene-11-oxatetracyclo[8.6.0.01,13.02,7]hexadeca-2(7),3,5,9-tetraen-8-one > C25H30O4 > 394.511 > 394.21441 > 0 > O=C1C2=C(O)C=C(O)C=C2[C@@]34[C@@H](CC(C3)=C(C)C)[C@@](OC4=C1)(CCC=C(C)C)C > InChI=1S/C25H30O4/c1-14(2)7-6-8-24(5)21-9-16(15(3)4)13-25(21)18-10-17(26)11-19(27)23(18)20(28)12-22(25)29-24/h7,10-12,21,26-27H,6,8-9,13H2,1-5H3/t21-,24-,25+/m0/s1 > AKXGRVOOWGJLFD-GVXSCFBNSA-N $$$$