Mol:FL7AADGL0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -1.9993 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5696 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5696 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 0.5979 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.5747 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 0.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7138 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 1.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 -1.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6204 -2.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1754 -2.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5348 -2.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -2.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 -1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3432 -2.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8621 -2.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 -2.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2241 -3.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -2.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5538 -3.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8985 -2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 -2.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9066 -2.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9635 -1.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -0.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9721 -0.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 -0.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 -0.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 -1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8296 -1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 -2.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -3.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5538 -3.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6716 -1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8985 -1.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 3.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 19 1 0 0 0 0 29 8 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 37 43 1 0 0 0 0 42 44 1 0 0 0 0 41 45 1 0 0 0 0 40 46 1 0 0 0 0 34 47 1 0 0 0 0 46 47 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 38 29 1 0 0 0 0 51 52 1 0 0 0 0 25 51 1 0 0 0 0 53 54 1 0 0 0 0 15 53 1 0 0 0 0 M CHG 1 10 1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 ^ CH2OH M SBV 1 57 0.6514 -0.5569 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 53 54 M SBL 2 1 59 M SMT 2 OCH3 M SBV 2 59 0.0000 -0.5906 S SKP 5 ID FL7AADGL0010 FORMULA C34H43O20 EXACTMASS 771.234768816 AVERAGEMASS 771.6932199999999 SMILES O(C(C(O)6)OC(CO)C(O)C6O)c(c1)c(c3)c([o+1]c(c(OC(O4)C(O)C(O)C(O)C4COC(O5)C(C(C(C5C)O)O)O)3)c(c2)ccc(c(OC)2)O)cc(O)1 M END