CDK 1030232201 23 25 0 0 0 0 0 0 0 0999 V2000 3.5552 -0.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 -0.0770 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 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -2.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -1.5760 0.0000 O 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 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6547 -2.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 -1.0615 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 1.3998 -3.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 -2.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 -3.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 -3.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 -1.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -2.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3378 -4.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -4.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7589 -3.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7662 -3.0752 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 4 2 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 8 4 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 6 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 5 8 1 0 0 0 0 10 11 2 0 0 0 0 16 19 1 0 0 0 0 M END > CHEBI:216841 > Ochuscin A > 2 > (3aS,8bS)-5-acetyl-3a,6,8-trihydroxy-1-methoxy-7,8b-dimethylcyclopenta[b][1]benzouran-3-one > C16H16O7 > 320.297 > 320.08960 > 0 > O=C1C=C(OC)[C@]2([C@@]1(OC=3C(=C(O)C(=C(C23)O)C)C(=O)C)O)C > InChI=1S/C16H16O7/c1-6-12(19)10(7(2)17)14-11(13(6)20)15(3)9(22-4)5-8(18)16(15,21)23-14/h5,19-21H,1-4H3/t15-,16-/m1/s1 > GPLCCISXPAJHRN-HZPDHXFCSA-N $$$$