Mrv1652304282211242D 24 25 0 0 1 0 999 V2000 -2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -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 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 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 -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 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3969 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0095 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6222 -0.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 0.5667 0.0000 O 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 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 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 6 0 0 0 7 12 1 6 0 0 0 12 13 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 5 20 1 6 0 0 0 3 21 1 6 0 0 0 3 22 1 1 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M END > NP0065141 > NP-MRD > C[C@@]12CCC[C@@](C)([C@H]1CCC(=C)[C@H]2CC[C@@H](CO)CCO)C(O)=O > InChI=1S/C20H34O4/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(23)24)16(14)7-6-15(13-22)9-12-21/h15-17,21-22H,1,4-13H2,2-3H3,(H,23,24)/t15-,16-,17+,19+,20+/m1/s1 > NMJFUGHUXVDUIU-JOMPHRNESA-N > C20H34O4 > 338.488 > 338.245709575 > 4 > 58 > 39.40268667507817 > 1 > 3 > 0 > 1 > (1S,4aS,5R,8aS)-5-[(3R)-5-hydroxy-3-(hydroxymethyl)pentyl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid > 3.87 > 3.2419501800000003 > -3.74 > 0 > 2 > -1 > 15.346873313254541 > 4.704000082906026 > -2.37815753955432 > 77.76 > 94.92669999999997 > 7 > 1 > 6.13e-02 g/l > (1S,4aS,5R,8aS)-5-[(3R)-5-hydroxy-3-(hydroxymethyl)pentyl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylic acid > 0 > NP0065141 > (ent-13S)-15,16-Dihydroxy-8(17)-labden-18-oic acid $$$$