Mrv1652304282205362D 17 17 0 0 1 0 999 V2000 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 1 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 11 15 1 6 0 0 0 7 16 1 6 0 0 0 2 17 1 0 0 0 0 M END > NP0058245 > NP-MRD > CC(=C)[C@@H](O)CC[C@](C)(N)[C@@H]1CCC(C)=CC1 > InChI=1S/C15H27NO/c1-11(2)14(17)9-10-15(4,16)13-7-5-12(3)6-8-13/h5,13-14,17H,1,6-10,16H2,2-4H3/t13-,14-,15-/m0/s1 > TXILJXXOQXLMOA-KKUMJFAQSA-N > C15H27NO > 237.387 > 237.209264493 > 2 > 44 > 29.38303869542898 > 1 > 2 > 0 > 1 > (3S,6S)-6-amino-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-1-en-3-ol > 3.09 > 2.632206319333334 > -3.48 > 0 > 1 > 1 > 14.638141927542943 > 10.423849691237713 > 46.25 > 74.288 > 5 > 1 > 7.95e-02 g/l > (3S,6S)-6-amino-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hept-1-en-3-ol > 0 > NP0058245 > (+)-Isoaminobisabolenol a $$$$