CDK 1030232201 19 21 0 0 0 0 0 0 0 0999 V2000 0.7145 0.0000 0.0000 O 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 -0.7537 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 -2.1891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2109 -2.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5961 -2.8023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9552 -2.3607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7002 -1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 -3.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 -3.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 -1.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2101 -3.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -3.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6795 -4.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 -3.8418 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 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 8 1 0 0 0 0 8 12 1 1 0 0 0 9 13 1 1 0 0 0 10 14 1 1 0 0 0 11 15 1 6 0 0 0 11 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 5 6 1 0 0 0 0 9 10 1 0 0 0 0 16 17 1 0 0 0 0 M END > CHEBI:211985 > Astellolide C > 2 > (5R,5aS,9S,9aS)-5,9-dihydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzouran-3-one > C15H22O4 > 266.337 > 266.15181 > 0 > O=C1OCC2=C1C[C@@H](O)[C@@H]3[C@@]2([C@@H](O)CCC3(C)C)C > InChI=1S/C15H22O4/c1-14(2)5-4-11(17)15(3)9-7-19-13(18)8(9)6-10(16)12(14)15/h10-12,16-17H,4-7H2,1-3H3/t10-,11+,12+,15+/m1/s1 > PNQPXZZYBRYBJV-YXMPFFBPSA-N $$$$