CDK 1030232202 38 43 0 0 0 0 0 0 0 0999 V2000 3.0696 -1.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9834 -1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 -0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 -0.8205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5645 0.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 -1.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2538 -1.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8109 0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -0.7993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 0.4849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5559 1.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -1.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 0.1919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6108 -0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2847 -1.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 1.2695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8443 1.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0334 -2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 0.6192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 2.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9997 1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 -2.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6848 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 1.4365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5282 1.1251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3824 -0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 2.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1756 2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0605 1.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 2.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8363 2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4554 3.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 3.2204 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 4 2 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 7 4 1 0 0 0 0 4 8 1 1 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 12 6 1 0 0 0 0 7 13 1 1 0 0 0 14 7 1 0 0 0 0 9 15 1 0 0 0 0 12 16 1 1 0 0 0 17 12 1 1 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 20 14 1 0 0 0 0 14 21 1 1 0 0 0 16 22 1 0 0 0 0 23 17 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 1 0 0 0 20 26 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 29 23 1 0 0 0 0 30 23 1 0 0 0 0 23 31 1 1 0 0 0 26 32 2 0 0 0 0 29 33 1 0 0 0 0 30 34 1 1 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 35 38 2 0 0 0 0 7 9 1 0 0 0 0 14 17 1 0 0 0 0 15 20 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 6 0 0 0 34 35 1 0 0 0 0 M END > CHEBI:217405 > Aspermeroterpene A > 2 > methyl (1R,3S,7R,8S,9S,10S,12R,17R,18S)-10-acetyloxy-1-hydroxy-4,4,8,12,15,18-hexamethyl-11-methylidene-2,5,13-trioxo-14,19-dioxahexacyclo[14.2.1.03,7.03,8.09,18.012,17]nonadec-15-ene-17-carboxylate > C28H32O10 > 528.554 > 528.19955 > 0 > O=C1OC(=C2O[C@@]3([C@@]4([C@]2([C@]1(C(=C)[C@@H](OC(=O)C)[C@H]4[C@]5([C@@]6(C(C(=O)C[C@H]56)(C)C)C3=O)C)C)C(=O)OC)C)O)C > InChI=1S/C28H32O10/c1-11-16(37-13(3)29)17-24(7)14-10-15(30)22(4,5)26(14,24)19(31)28(34)25(17,8)27(21(33)35-9)18(38-28)12(2)36-20(32)23(11,27)6/h14,16-17,34H,1,10H2,2-9H3/t14-,16-,17+,23+,24+,25+,26-,27+,28+/m1/s1 > PAKCDVHBFXPIJD-WHOXKXTJSA-N $$$$