Mrv1652309092220512D 37 40 0 0 1 0 999 V2000 3.1670 -3.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 -3.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 -2.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4185 -2.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.6009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3261 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 0.2912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2655 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.4847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8261 -0.6299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4774 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -1.3791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4373 -2.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1264 -2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2545 -1.9175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5654 -1.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -2.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5781 -2.4560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6910 -3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4653 -1.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3954 -2.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2126 -2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5082 -3.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 -1.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4662 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -1.1154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6700 -0.9702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9503 -1.7461 0.0000 C 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 1 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 18 31 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 6 0 0 0 14 35 1 0 0 0 0 35 36 1 0 0 0 0 10 36 1 0 0 0 0 5 36 1 0 0 0 0 36 37 1 1 0 0 0 M END > NP0288924 > NP-MRD > C[C@H]([C@H](O)C[C@](C)(O)C(C)(C)O)[C@@H]1CC[C@H]2[C@H]3[C@H](O)CC4=CC(=O)C[C@H](OC(C)=O)[C@@]4(C)[C@H]3CC[C@@]12C > InChI=1S/C30H48O7/c1-16(24(34)15-29(6,36)27(3,4)35)20-8-9-21-26-22(10-11-28(20,21)5)30(7)18(13-23(26)33)12-19(32)14-25(30)37-17(2)31/h12,16,20-26,33-36H,8-11,13-15H2,1-7H3/t16-,20-,21-,22-,23+,24+,25-,26+,28-,29-,30+/m0/s1 > LENKRKAUGZSJTK-ZOULDDONSA-N > C30H48O7 > 520.707 > 520.340003886 > 6 > 85 > 58.45290296133328 > 1 > 4 > 0 > 0 > (1S,2S,3S,9R,10R,11S,14S,15S)-9-hydroxy-2,15-dimethyl-5-oxo-14-[(2S,3R,5S)-3,5,6-trihydroxy-5,6-dimethylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-3-yl acetate > 2.0905915583333314 > 1 > 4 > 0 > 14.70631529247538 > 13.614123010419338 > -0.6354463979408947 > 124.29000000000002 > 141.05530000000002 > 7 > 0 > (1S,2S,3S,9R,10R,11S,14S,15S)-9-hydroxy-2,15-dimethyl-5-oxo-14-[(2S,3R,5S)-3,5,6-trihydroxy-5,6-dimethylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-3-yl acetate > 0 > NP0288924 > (1s,3as,3br,4r,9s,9as,9bs,11as)-4-hydroxy-9a,11a-dimethyl-7-oxo-1-[(2s,3r,5s)-3,5,6-trihydroxy-5,6-dimethylheptan-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-9-yl acetate $$$$