9998869 CDK 1222211049 29 32 0 0 0 0 0 0 0 0999 V2000 7.4202 -0.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 1.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -2.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1346 0.2385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4202 0.6510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1346 -0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8853 0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4069 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1478 1.9457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8920 1.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 -0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 -1.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9596 -0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 2.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0821 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3629 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0247 1.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 1 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 6 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 1 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 M END > CHEBI:188875 > Machaeriol C > 2 > (6aS,9S,10aS)-3-[(E)-2-(2-hydroxyphenyl)ethenyl]-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol > C24H28O3 > 364.485 > 364.20384 > 0 > O1C([C@@]2([C@](C[C@H](CC2)C)(C=3C1=CC(=CC3O)/C=C/C=4C(O)=CC=CC4)[H])[H])(C)C > InChI=1S/C24H28O3/c1-15-8-11-19-18(12-15)23-21(26)13-16(14-22(23)27-24(19,2)3)9-10-17-6-4-5-7-20(17)25/h4-7,9-10,13-15,18-19,25-26H,8,11-12H2,1-3H3/b10-9+/t15-,18-,19-/m0/s1 > ADICELGPGMRQFN-ZWGYXXSNSA-N $$$$