CDK 1028232202 24 26 0 0 0 0 0 0 0 0999 V2000 6.2062 0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 0.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1733 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 0.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0659 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 1.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -0.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 0.8258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8674 -1.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0383 1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6302 1.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.0770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3221 -1.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3178 0.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5300 0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -2.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2330 0.0000 C 0 0 1 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 0.9021 -1.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 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 1 0 0 0 0 5 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 1 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 12 16 1 0 0 0 0 17 14 1 0 0 0 0 14 18 1 6 0 0 0 15 19 1 6 0 0 0 20 15 1 0 0 0 0 17 21 1 6 0 0 0 20 22 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 7 9 1 0 0 0 0 14 16 1 0 0 0 0 17 20 1 0 0 0 0 M END > CHEBI:199904 > Radianspene C > 2 > (1S,2R,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-8-one > C20H30O4 > 334.456 > 334.21441 > 0 > O=C1C(=C2C=C3[C@]([C@@H](C(C)C)[C@H]([C@H]3O)O)(C)CC[C@]2(C)CC1)CO > InChI=1S/C20H30O4/c1-11(2)16-18(24)17(23)14-9-13-12(10-21)15(22)5-6-19(13,3)7-8-20(14,16)4/h9,11,16-18,21,23-24H,5-8,10H2,1-4H3/t16-,17-,18+,19-,20-/m0/s1 > OTUPIQJUQWGDQX-KNJMJIDISA-N $$$$