CDK 1030232201 20 23 0 0 0 0 0 0 0 0999 V2000 4.3424 -2.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3747 -2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 -1.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1827 -0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -2.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1372 -2.0280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0253 -0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 -2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 -0.6444 0.0000 C 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 -0.1415 -1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 -2.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 -2.8921 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 5 3 1 1 0 0 0 4 6 2 0 0 0 0 7 4 1 1 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 1 0 0 0 10 13 1 6 0 0 0 11 14 1 1 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 5 7 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 16 18 1 0 0 0 0 M END > CHEBI:214644 > Gymnodrimane D > 2 > (1R,6S,12S,14S,15R)-14-methoxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-10-one > C16H22O4 > 278.348 > 278.15181 > 0 > O=C1O[C@@H]2O[C@H](OC)[C@]34[C@@H]2C1=CC[C@H]4C(CCC3)(C)C > InChI=1S/C16H22O4/c1-15(2)7-4-8-16-10(15)6-5-9-11(16)13(19-12(9)17)20-14(16)18-3/h5,10-11,13-14H,4,6-8H2,1-3H3/t10-,11+,13+,14-,16+/m0/s1 > WCWMVARPHVYWEF-FQNULLKNSA-N $$$$