Mrv1652304282211312D 30 33 0 0 1 0 999 V2000 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7770 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 1.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 2.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3881 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3016 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 7 22 1 0 0 0 0 21 23 1 1 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 23 27 1 0 0 0 0 5 28 1 6 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 M END > NP0065280 > NP-MRD > C\C=C(\C)C(=O)O[C@@H]1C=C2[C@H](C[C@@H](OC2=O)C2=COC=C2)[C@@]2(C)CCCC(C)(C)[C@H]12 > InChI=1S/C25H32O5/c1-6-15(2)22(26)30-20-12-17-18(25(5)10-7-9-24(3,4)21(20)25)13-19(29-23(17)27)16-8-11-28-14-16/h6,8,11-12,14,18-21H,7,9-10,13H2,1-5H3/b15-6-/t18-,19+,20+,21-,25+/m0/s1 > KNVFODWKKUZNMG-BQEMFTRSSA-N > C25H32O5 > 412.526 > 412.22497413 > 2 > 62 > 45.71052954005101 > 1 > 0 > 0 > 0 > (2R,6R,6aS,10aR,10bR)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1H,2H,4H,6H,6aH,7H,8H,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-6-yl (2Z)-2-methylbut-2-enoate > 5.65 > 5.804386368333331 > -4.68 > 0 > 4 > 0 > -2.8885494646287735 > 65.74000000000001 > 114.36819999999999 > 4 > 0 > 8.59e-03 g/l > (2R,6R,6aS,10aR,10bR)-2-(furan-3-yl)-7,7,10a-trimethyl-4-oxo-1H,2H,6H,6aH,8H,9H,10H,10bH-naphtho[2,1-c]pyran-6-yl (2Z)-2-methylbut-2-enoate > 0 > NP0065280 > Angeloylgutespinolide $$$$