Mrv1652309042215072D 37 40 0 0 1 0 999 V2000 -4.3971 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 0.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 -0.9702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7092 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 -1.4557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3653 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6456 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1953 -0.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4756 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -0.2441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1794 0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6441 -0.2709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1505 0.3804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8018 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 0.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6568 1.0317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4741 0.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 1.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 3.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 3.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3056 3.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7772 2.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 -1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 -1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -1.0201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3416 -1.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -0.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3365 0.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 -0.1943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4926 0.4364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 7 6 1 6 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 2 0 0 0 0 12 11 1 1 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 18 19 1 6 0 0 0 18 20 1 6 0 0 0 18 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 17 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 11 31 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 6 0 0 0 12 33 1 0 0 0 0 7 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 5 36 1 0 0 0 0 36 37 1 1 0 0 0 M END > NP0195294 > NP-MRD > CC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@H](CC[C@]4(C)[C@H](CC[C@@]34O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[C@@]2(C)C[C@@H]1O > InChI=1S/C29H46O8/c1-16(30)37-22-14-19-20(31)13-18-17(26(19,4)15-21(22)32)7-11-27(5)23(8-12-29(18,27)36)28(6,35)24(33)9-10-25(2,3)34/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3/t17-,19-,21-,22+,23-,24+,26+,27+,28+,29+/m0/s1 > UWFCFVQTAHITKV-OQQOFWQASA-N > C29H46O8 > 522.679 > 522.319268441 > 7 > 83 > 58.18205913520664 > 1 > 5 > 0 > 0 > (1R,2R,4S,5R,7R,11S,14S,15R)-4,11-dihydroxy-2,15-dimethyl-8-oxo-14-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-yl acetate > 1.0509876150000013 > 1 > 4 > 0 > 13.815504197045726 > 13.307878144040501 > -2.627423734269491 > 144.52 > 138.0273 > 7 > 0 > (1R,2R,4S,5R,7R,11S,14S,15R)-4,11-dihydroxy-2,15-dimethyl-8-oxo-14-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-yl acetate > 0 > NP0195294 > (1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,8-dihydroxy-9a,11a-dimethyl-5-oxo-1-[(2r,3r)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate $$$$