Mol:Astramembrannin II
From Metabolomics.JP
ACD/Labs02160814203D 43 49 0 0 1 0 0 0 0 0 1 V2000 15.1424 -8.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1424 -9.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0964 -10.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0505 -9.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0505 -8.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0964 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0045 -10.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 -9.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 -8.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0045 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 -7.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 -6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0045 -7.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8208 -8.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8208 -7.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8667 -6.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5456 -11.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6472 -11.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1883 -10.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 -9.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2094 -13.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5393 -13.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1954 -12.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5355 -12.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1916 -11.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5215 -11.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5280 -14.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -12.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5270 -15.2310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0504 -7.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8668 -5.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8668 -4.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8208 -5.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7748 -5.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7747 -4.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7749 -6.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 -5.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7289 -5.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6830 -5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7290 -7.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6831 -6.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3159 -4.3974 0.0000 C 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 1 1 0 0 0 0 4 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 3 18 1 6 0 0 0 3 19 1 1 0 0 0 2 20 1 1 0 0 0 11 21 1 6 0 0 0 25 22 1 0 0 0 0 23 22 1 0 0 0 0 26 25 1 0 0 0 0 24 23 1 0 0 0 0 27 26 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 22 1 0 0 0 0 30 23 1 0 0 0 0 20 24 1 0 0 0 0 13 12 1 0 0 0 0 11 15 1 0 0 0 0 5 31 1 1 0 0 0 10 31 1 1 0 0 0 17 32 1 0 0 0 0 34 32 1 0 0 0 0 33 32 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 16 37 1 1 0 0 0 12 38 1 1 0 0 0 40 39 1 0 0 0 0 41 39 1 0 0 0 0 35 39 1 0 0 0 0 39 42 1 0 0 0 0 33 36 1 0 0 0 0 32 43 1 6 0 0 0 7 8 1 0 0 0 0 S SKP 5 ID Astramembrannin II FORMULA C35H58O8 EXACTMASS 606.413168832 AVERAGEMASS 606.8302199999999 SMILES C(C5)C(C4C(C7)(C(C(C7O)C(O6)(C)CCC(C(C)(C)O)6)5C)C)(C1)C1(C(CC4)2)CCC(OC(O3)C(O)C(O)C(C3)O)C(C)(C)2 M END
