Mol:FL7AACGL0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 58 63 0 0 0 0 0 0 0 0999 V2000 1.4741 -0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 -0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 -0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 -0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 -0.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 -0.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2261 -0.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0427 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 -1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1344 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3559 -2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 -2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3559 -3.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -2.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 -2.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 2.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0145 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4582 1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0145 2.1238 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.9021 2.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 1.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 2.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2318 2.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 3.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 2.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2395 2.1237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 3.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1855 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3929 0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2758 0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4434 0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 0.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 0.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5265 0.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 3.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 -3.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 -3.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3023 -1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 4 5 1 1 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 2 8 1 0 0 0 0 7 9 1 0 0 0 0 6 10 1 0 0 0 0 5 11 1 0 0 0 0 3 1 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 13 23 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 24 2 0 0 0 0 27 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 24 40 1 0 0 0 0 37 41 1 0 0 0 0 26 42 1 0 0 0 0 43 31 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 44 50 1 0 0 0 0 49 51 1 0 0 0 0 48 52 1 0 0 0 0 47 53 1 0 0 0 0 45 43 1 0 0 0 0 53 1 1 0 0 0 0 38 54 1 0 0 0 0 20 55 1 0 0 0 0 55 56 1 0 0 0 0 18 57 1 0 0 0 0 57 58 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 55 56 M SBL 1 1 60 M SMT 1 ^OCH3 M SBV 1 60 -7.0246 5.2445 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 57 58 M SBL 2 1 62 M SMT 2 ^OCH3 M SBV 2 62 -6.5502 6.2462 S SKP 8 ID FL7AACGL0037 KNApSAcK_ID C00006807 NAME Alatanin C CAS_RN 138688-63-8 FORMULA C38H41O20 EXACTMASS 817.219118752 AVERAGEMASS 817.72014 SMILES Oc(c1)c(c2)c([o+1]c(c(c6)cc(O)c(c6)O)c2OC(O3)C(O)C(C(C3COC(C(O)5)OC(C(O)C(O)5)COC(C=Cc(c4)cc(c(O)c(OC)4)OC)=O)O)O)cc1O M END