Mrv1652309092213072D 36 38 0 0 1 0 999 V2000 -3.0393 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3248 -0.6828 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6103 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8959 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1814 -1.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 -0.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 0.1422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2102 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3938 1.3045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1371 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 1.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0254 1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2383 2.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 1.9495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9456 1.9495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2005 2.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 2.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 3.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 2.7341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9190 2.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 3.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 4.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 4.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 1.3045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2816 1.3785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6059 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 0.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9846 0.0771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5894 -0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -0.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 -2.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 -1.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2764 0.5002 0.0000 C 0 0 2 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 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 10 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 17 26 1 0 0 0 0 26 27 1 6 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 6 0 0 0 30 32 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 36 30 1 6 0 0 0 8 36 1 0 0 0 0 26 36 1 0 0 0 0 M END > NP0283728 > NP-MRD > CSCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC(C)=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 > InChI=1S/C25H34O10S/c1-12-10-16(31-13(2)26)20-19(12)22-21(25(6,23(30)33-22)35-15(4)28)17(32-18(29)8-9-36-7)11-24(20,5)34-14(3)27/h10,16-17,19-22H,8-9,11H2,1-7H3/t16-,17+,19-,20+,21-,22+,24+,25+/m1/s1 > MATQUFYCAAXNHA-UKKOJSLUSA-N > C25H34O10S > 526.6 > 526.187268469 > 5 > 70 > 54.4120201602052 > 0 > 0 > 0 > 0 > (3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6,7-tris(acetyloxy)-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 3-(methylsulfanyl)propanoate > 1.4033330583333319 > 1 > 3 > 0 > -6.387555197264589 > 131.50000000000003 > 127.04630000000002 > 11 > 0 > (3S,3aR,4S,6S,6aR,7R,9aS,9bS)-3,6,7-tris(acetyloxy)-3,6,9-trimethyl-2-oxo-3aH,4H,5H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 3-(methylsulfanyl)propanoate > 0 > NP0283728 > (3s,3ar,4s,6s,6ar,7r,9as,9bs)-3,6,7-tris(acetyloxy)-3,6,9-trimethyl-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-(methylsulfanyl)propanoate $$$$