Mrv1652304282201102D 37 39 0 0 1 0 999 V2000 -0.0084 0.4170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4209 1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 0.1394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5604 -0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0285 -0.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 0.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4575 -0.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4575 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 1.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 1.8994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6689 2.1426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3505 1.6779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4122 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 0.2940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3820 -0.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 -1.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6662 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 2.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 2.0904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2084 1.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9229 2.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 2.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6812 2.9675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0995 3.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 4.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0359 3.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 2.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 1 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 9 12 1 0 0 0 0 3 13 1 0 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 18 23 1 1 0 0 0 16 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 1 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 14 34 1 6 0 0 0 31 35 1 1 0 0 0 31 36 1 6 0 0 0 15 37 1 6 0 0 0 M END > NP0051970 > NP-MRD > CC[C@H](C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O > InChI=1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1 > FIAZIVNRHQWTPY-QAAPNFDWSA-N > C27H38O10 > 522.591 > 522.246497424 > 6 > 75 > 54.59391868667348 > 1 > 2 > 0 > 0 > (3S,3aR,4S,6S,6aS,8R,9bS)-6-(acetyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-4-{[(2S)-2-methylbutanoyl]oxy}-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,8H,9bH-azuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate > 2.27 > 2.596354071666667 > -3.72 > 1 > 3 > 0 > 12.498782583667722 > 11.135615258280229 > -4.307568504710141 > 145.66 > 130.34419999999997 > 9 > 0 > 9.92e-02 g/l > trilobolide > 0 > NP0051970 > Triobolide $$$$