9981005 CDK 0512222200 32 34 0 0 0 0 0 0 0 0999 V2000 1.9013 0.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 1.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 -2.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 -3.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3504 3.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4925 3.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 -4.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 4.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 -0.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 0.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5623 -1.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1754 -2.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 2.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 2.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -2.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 -3.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 2.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 2.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2192 -3.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 3.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 -3.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0648 2.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 2.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 -4.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 4.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 21 1 0 0 0 0 3 27 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 23 1 0 0 0 0 5 29 1 0 0 0 0 6 24 1 0 0 0 0 6 30 1 0 0 0 0 7 25 1 0 0 0 0 7 31 1 0 0 0 0 8 26 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 21 25 1 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 M END > CHEBI:191572 > Cubebininolide > 2 > 3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one > C24H30O8 > 446.496 > 446.19407 > 0 > O1CC(C(CC2=CC(OC)=C(OC)C(OC)=C2)C1=O)CC3=CC(OC)=C(OC)C(OC)=C3 > InChI=1S/C24H30O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17H,7-8,13H2,1-6H3 > VUNCHONBJWJYID-UHFFFAOYSA-N $$$$