Mol:FL7AADGO0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4848 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4848 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4848 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4848 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7702 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7702 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0557 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0557 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0557 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0557 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7702 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7702 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6588 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6588 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3734 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3734 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3734 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3734 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6588 0.5058 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.6588 0.5058 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0877 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0877 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8159 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8159 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5442 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5442 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5442 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5442 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8159 1.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8159 1.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0877 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0877 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1991 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1991 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3009 1.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3009 1.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7702 -1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7702 -1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2188 -1.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2188 -1.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1260 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1260 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6813 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6813 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0409 -2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0409 -2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3735 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3735 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8720 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8720 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5262 -2.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5262 -2.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7661 -2.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7661 -2.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2634 -2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2634 -2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3632 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3632 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9427 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9427 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6304 -2.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6304 -2.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4121 -2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4121 -2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6304 -1.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6304 -1.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9427 -0.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9427 -0.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1609 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1609 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0754 -1.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0754 -1.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9976 -3.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9976 -3.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5162 -3.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5162 -3.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9687 -2.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9687 -2.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8159 2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8159 2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3829 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3829 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0744 -1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0744 -1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3009 -1.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3009 -1.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 31 30 1 1 0 0 0 | + | 31 30 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 30 1 1 0 0 0 | + | 35 30 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 15 40 1 0 0 0 0 | + | 15 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 26 42 1 0 0 0 0 | + | 26 42 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 45 0.0000 -0.7351 | + | M SBV 1 45 0.0000 -0.7351 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 ^ CH2OH | + | M SMT 2 ^ CH2OH |
| − | M SBV 2 47 0.5482 -0.5564 | + | M SBV 2 47 0.5482 -0.5564 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AADGS0003 | + | ID FL7AADGS0003 |
| − | FORMULA C28H33O15 | + | FORMULA C28H33O15 |
| − | EXACTMASS 609.181945386 | + | EXACTMASS 609.181945386 |
| − | AVERAGEMASS 609.5526199999999 | + | AVERAGEMASS 609.5526199999999 |
| − | SMILES OC(C1O)C(Oc(c2)c(c(c5)cc(c(O)c5)OC)[o+1]c(c4)c2c(cc4O)OC(C(O)3)OC(C(C(O)3)O)CO)OC(C(O)1)C | + | SMILES OC(C1O)C(Oc(c2)c(c(c5)cc(c(O)c5)OC)[o+1]c(c4)c2c(cc4O)OC(C(O)3)OC(C(C(O)3)O)CO)OC(C(O)1)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-1.4848 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4848 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7702 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0557 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0557 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7702 0.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6588 -1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3734 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3734 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6588 0.5058 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.0877 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 0.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5442 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5442 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 1.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0877 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1991 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3009 1.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7702 -1.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2188 -1.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1260 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6813 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0409 -2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8720 -1.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5262 -2.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7661 -2.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2634 -2.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3632 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6304 -2.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4121 -2.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6304 -1.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9427 -0.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1609 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0754 -1.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9976 -3.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5162 -3.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9687 -2.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 2.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0744 -1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3009 -1.1553 0.0000 O 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 8 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
35 36 1 0 0 0 0
30 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
34 20 1 0 0 0 0
40 41 1 0 0 0 0
15 40 1 0 0 0 0
42 43 1 0 0 0 0
26 42 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 OCH3
M SBV 1 45 0.0000 -0.7351
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 ^ CH2OH
M SBV 2 47 0.5482 -0.5564
S SKP 5
ID FL7AADGS0003
FORMULA C28H33O15
EXACTMASS 609.181945386
AVERAGEMASS 609.5526199999999
SMILES OC(C1O)C(Oc(c2)c(c(c5)cc(c(O)c5)OC)[o+1]c(c4)c2c(cc4O)OC(C(O)3)OC(C(C(O)3)O)CO)OC(C(O)1)C
M END
