CDK 1030232200 22 25 0 0 0 0 0 0 0 0999 V2000 2.8580 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -1.2376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4891 -0.3927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5725 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7431 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1574 -0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -2.8876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 -1.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 5 2 1 1 0 0 0 6 3 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 6 11 1 6 0 0 0 7 12 1 0 0 0 0 9 13 1 6 0 0 0 14 9 1 0 0 0 0 15 10 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 6 0 0 0 14 19 1 0 0 0 0 15 20 1 1 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 6 9 1 0 0 0 0 10 12 1 6 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 M END > CHEBI:207425 > Stereumin O > 2 > [(1R,2R,5R,9R,10S,12S,16R)-6,10,14,14-tetramethyl-4,13,15-trioxatetracyclo[7.6.1.01,12.05,16]hexadec-6-en-2-yl]methanol > C18H28O4 > 308.418 > 308.19876 > 0 > O1[C@H]2C(=CC[C@H]3[C@H]2[C@]4(OC(C)(C)O[C@H]4C[C@@H]3C)[C@@H](C1)CO)C > InChI=1S/C18H28O4/c1-10-5-6-13-11(2)7-14-18(22-17(3,4)21-14)12(8-19)9-20-16(10)15(13)18/h5,11-16,19H,6-9H2,1-4H3/t11-,12+,13+,14-,15+,16-,18-/m0/s1 > OCXMPIIXPZZNOJ-LJCQJWCWSA-N $$$$