Mrv1652312061819092D 14 14 0 0 0 0 999 V2000 9999.347010001.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.062210001.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10000.779210001.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.631310001.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10000.719310000.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.4343 9999.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.151410000.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9997.878510000.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.4158 9998.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9999.330210000.3324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9998.6628 9999.8474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9998.9177 9999.0628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9999.7427 9999.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.9976 9999.8474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 10 1 1 1 0 0 0 14 5 1 1 0 0 0 12 9 1 6 0 0 0 11 8 1 6 0 0 0 M END > NP0086167 > NP-MRD > COC(=O)[C@@H]1[C@@H](C)[C@@H](O)C[C@@H]1CC=O > InChI=1S/C10H16O4/c1-6-8(12)5-7(3-4-11)9(6)10(13)14-2/h4,6-9,12H,3,5H2,1-2H3/t6-,7-,8-,9+/m0/s1 > LXSAYHHNNBSFRW-XSPKLOCKSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.81861585946281 > 1 > 1 > 0 > 1 > methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate > -0.17753406233333308 > 0 > 1 > 0 > 16.807838223290346 > 14.904071384642862 > -2.8343486143822663 > 63.60000000000001 > 50.044700000000006 > 4 > 1 > methyl (1S,2R,3S,5R)-3-hydroxy-2-methyl-5-(2-oxoethyl)cyclopentane-1-carboxylate > 0 > NP0086167 > Gentiolutelin $$$$