Mrv1652309122216422D 29 32 0 0 1 0 999 V2000 1.4289 -2.4750 0.0000 C 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 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 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 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 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 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 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 3.5724 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3570 -0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -1.4924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6119 -2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 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 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 1 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 21 27 1 0 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 2 29 1 0 0 0 0 18 29 1 0 0 0 0 M END > NP0329881 > NP-MRD > C[C@H]1[C@H]2C[C@H]3C(=C)[C@H](CC[C@]3(C)C[C@H]2OC1=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C21H32O8/c1-9-11-6-12-10(2)13(4-5-21(12,3)7-14(11)27-19(9)26)28-20-18(25)17(24)16(23)15(8-22)29-20/h9,11-18,20,22-25H,2,4-8H2,1,3H3/t9-,11+,12-,13-,14+,15+,16+,17-,18+,20+,21+/m0/s1 > WHJBIIXSULJQSV-RUFKCCSMSA-N > C21H32O8 > 412.479 > 412.20971799 > 7 > 61 > 43.41233461873931 > 1 > 4 > 0 > 1 > (3S,3aR,4aR,6S,8aR,9aR)-3,8a-dimethyl-5-methylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydronaphtho[2,3-b]furan-2-one > 0.21467390499999972 > 0 > 4 > 0 > 13.199908503171635 > 12.210096438662932 > -2.981083684387478 > 125.68 > 100.32279999999997 > 3 > 1 > (3S,3aR,4aR,6S,8aR,9aR)-3,8a-dimethyl-5-methylidene-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3H-naphtho[2,3-b]furan-2-one > 0 > NP0329881 > (3s,3ar,4ar,6s,8ar,9ar)-3,8a-dimethyl-5-methylidene-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-naphtho[2,3-b]furan-2-one $$$$