Mrv1533004251512402D 26 28 0 0 0 0 999 V2000 -0.4731 -0.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0084 0.4170 0.0000 C 0 0 0 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 -0.1194 1.8994 0.0000 C 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 -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 0.6812 2.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 3.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 2.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3505 1.6779 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 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 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 O 0 0 0 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 2.1074 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7525 -1.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 0.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 0.5519 0.0000 O 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 19 25 1 0 0 0 0 25 26 2 0 0 0 0 M END > NP0276571 > NP-MRD > CC1C2C(CC(C)C3C(O)CC(=O)C3(C)C2OC(=O)C(=C)CO)OC1=O > InChI=1S/C19H26O7/c1-8-5-12-14(10(3)18(24)25-12)16(26-17(23)9(2)7-20)19(4)13(22)6-11(21)15(8)19/h8,10-12,14-16,20-21H,2,5-7H2,1,3-4H3 > KPJLVHPJLQHZBA-UHFFFAOYSA-N > C19H26O7 > 366.41 > 366.167853177 > 5 > 52 > 37.12315456883524 > 1 > 2 > 0 > 1 > 7-hydroxy-3,4a,8-trimethyl-2,5-dioxo-dodecahydroazuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate > 0.46 > 1.1001024736666674 > -2.19 > 0 > 3 > 0 > 15.109614973009101 > 14.488950593859421 > -2.844131891681439 > 110.13 > 90.09589999999999 > 4 > 1 > 2.36e+00 g/l > 7-hydroxy-3,4a,8-trimethyl-2,5-dioxo-octahydro-3H-azuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate > 0 > NP0276571 > 7-hydroxy-3,4a,8-trimethyl-2,5-dioxo-octahydro-3h-azuleno[6,5-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate $$$$