Mrv1652309092222372D 26 30 0 0 1 0 999 V2000 6.1457 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4341 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0102 -1.3568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6689 -1.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 -1.9378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1486 -2.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 -2.7384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5138 -3.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1559 -2.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 -2.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8111 -2.0778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4387 -1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -0.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 -0.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9062 0.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 -0.4353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4162 0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 -1.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0012 -1.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5867 -1.1491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3307 -0.8465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4368 -0.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 0.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1983 0.2888 0.0000 O 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 1 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 11 10 1 1 0 0 0 4 11 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 14 15 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 12 21 1 6 0 0 0 22 17 1 1 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 4 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END > NP0290104 > NP-MRD > C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)[C@@H](O)C[C@H]5[C@@]3(CC[C@@H]1O)OC2=O > InChI=1S/C19H24O7/c1-8-6-17-7-18(8,25)11(21)5-9(17)19-4-3-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12-,13-,16-,17+,18+,19-/m1/s1 > SLQZHTBESWFEAE-BPDLVRBNSA-N > C19H24O7 > 364.394 > 364.152203113 > 6 > 50 > 36.21040710530065 > 1 > 4 > 0 > 0 > (1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid > -0.673883586666666 > 0 > 5 > -1 > 13.177419589273509 > 4.110556967047577 > -3.0419589952717354 > 124.29 > 86.96839999999999 > 1 > 1 > (1R,2R,4S,5S,8S,9S,10R,11S,12S)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid > 0 > NP0290104 > (1r,2r,4s,5s,8s,9s,10r,11s,12s)-4,5,12-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid $$$$