CDK 1030232201 31 35 0 0 0 0 0 0 0 0999 V2000 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 N 0 0 0 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 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4710 0.1395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1355 0.8932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7259 -0.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2915 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 1.5607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 C 0 0 2 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 1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7764 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2848 2.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 1.4744 0.0000 C 0 0 1 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 -0.7145 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 2.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 2.4750 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 5 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 11 7 1 1 0 0 0 12 8 1 0 0 0 0 13 9 1 1 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 12 16 1 1 0 0 0 12 17 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 14 20 1 6 0 0 0 15 21 1 0 0 0 0 15 22 1 1 0 0 0 17 23 1 0 0 0 0 18 24 1 6 0 0 0 25 18 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 25 29 1 6 0 0 0 30 27 1 0 0 0 0 30 31 1 1 0 0 0 6 8 1 0 0 0 0 12 13 1 0 0 0 0 21 26 2 0 0 0 0 23 25 1 0 0 0 0 28 30 1 0 0 0 0 M END > CHEBI:213483 > Arthpyrone F > 2 > (5aS,6R,7R,9aS)-4-[(1R,2R,4aS,6R,8aR)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-6,7,9a-trihydroxy-2,5a,6,7,8,9-hexahydro-[1]benzouro[3,2-c]pyridin-3-one > C24H31NO6 > 429.513 > 429.21514 > 0 > O=C1NC=C2[C@@]3(O)CC[C@H]([C@H]([C@@H]3OC2=C1C(=O)[C@H]4[C@H]5[C@H](C=C[C@H]4C)C[C@H](C)CC5)O)O > InChI=1S/C24H31NO6/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-21-15(10-25-23(18)29)24(30)8-7-16(26)19(27)22(24)31-21/h4-5,10-14,16-17,19,22,26-27,30H,3,6-9H2,1-2H3,(H,25,29)/t11-,12-,13-,14-,16-,17-,19-,22+,24+/m1/s1 > ZBVSQEYSJDLSLO-PLTLZWSJSA-N $$$$