Mrv1652309102212472D 33 35 0 0 1 0 999 V2000 4.0876 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 1.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 2.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 2.3296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3054 1.5253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5621 1.1673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5621 0.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0971 -0.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -0.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 -0.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 -1.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -0.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 1.5253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8558 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 2.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 2.3296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1496 2.9746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7917 3.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 2.9746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3326 3.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8678 4.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 4.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 5.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0485 5.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 5.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9384 5.7629 0.0000 C 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 8 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 22 1 1 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 M END > NP0299132 > NP-MRD > C\C=C(\C)C(=O)O[C@H]1[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)C(\CO)=C/C)[C@@]2(C)[C@@H](C=CC2=O)[C@@H]1C > InChI=1S/C25H30O8/c1-7-12(3)22(28)31-19-13(4)16-9-10-17(27)25(16,6)21(33-24(30)15(8-2)11-26)18-14(5)23(29)32-20(18)19/h7-10,13,16,18-21,26H,5,11H2,1-4,6H3/b12-7-,15-8-/t13-,16-,18+,19+,20-,21-,25-/m0/s1 > RAKBIJSLIVLPBU-FLCMIYQNSA-N > C25H30O8 > 458.507 > 458.194067926 > 5 > 63 > 46.519631427468056 > 1 > 1 > 0 > 1 > (3aS,4S,4aR,7aS,8S,9R,9aS)-4a,8-dimethyl-9-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2Z)-2-(hydroxymethyl)but-2-enoate > 3.995060356999999 > 1 > 3 > 0 > 15.261912009929667 > 14.648864685839797 > -2.8485581173805263 > 116.20000000000002 > 120.34189999999998 > 7 > 1 > (3aS,4S,4aR,7aS,8S,9R,9aS)-4a,8-dimethyl-9-{[(2Z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2,5-dioxo-3aH,4H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl (2Z)-2-(hydroxymethyl)but-2-enoate > 0 > NP0299132 > (3as,4s,4ar,7as,8s,9r,9as)-4a,8-dimethyl-9-{[(2z)-2-methylbut-2-enoyl]oxy}-3-methylidene-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-4-yl (2z)-2-(hydroxymethyl)but-2-enoate $$$$