Mrv1652309112206312D 14 15 0 0 1 0 999 V2000 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8838 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 6 0 0 0 4 14 1 0 0 0 0 M END > NP0309727 > NP-MRD > CC(C)C1=CC(=O)[C@@H]2CC[C@H](C)[C@@H]2C1 > InChI=1S/C13H20O/c1-8(2)10-6-12-9(3)4-5-11(12)13(14)7-10/h7-9,11-12H,4-6H2,1-3H3/t9-,11+,12-/m0/s1 > WJVCBBRYKVMYMG-WCQGTBRESA-N > C13H20O > 192.302 > 192.151415264 > 1 > 34 > 22.86860832536246 > 1 > 0 > 0 > 1 > (1S,3aR,7aS)-1-methyl-6-(propan-2-yl)-2,3,3a,4,7,7a-hexahydro-1H-inden-4-one > 3.5588340206666667 > 0 > 2 > 0 > 18.84792384237533 > -4.7660120722312955 > 17.07 > 59.242799999999995 > 1 > 1 > (1S,3aR,7aS)-6-isopropyl-1-methyl-1,2,3,3a,7,7a-hexahydroinden-4-one > 1 > NP0309727 > (1s,3ar,7as)-6-isopropyl-1-methyl-1,2,3,3a,7,7a-hexahydroinden-4-one $$$$