Mol:FL3FAACS0033
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6932 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6932 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6932 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6932 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9788 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9788 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2644 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2644 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2644 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2644 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9788 -0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9788 -0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4501 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4501 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1646 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1646 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1646 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1646 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4501 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4501 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4501 -3.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4501 -3.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4074 -0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4074 -0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0750 1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0750 1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7556 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7556 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7358 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7358 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0075 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0075 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2448 0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2448 0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3591 0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3591 0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0306 2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0306 2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5646 2.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5646 2.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5025 -0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5025 -0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9788 -3.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9788 -3.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0377 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0377 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7905 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7905 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5434 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5434 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5434 0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5434 0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7905 0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7905 0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0377 0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0377 0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2959 0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2959 0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9808 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9808 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3063 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3063 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5204 0.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5204 0.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3063 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3063 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9808 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9808 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7668 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7668 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9189 2.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9189 2.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4287 1.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4287 1.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3311 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3311 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6112 0.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6112 0.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7297 2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7297 2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7297 3.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7297 3.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2959 2.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2959 2.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3409 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3409 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0218 0.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0218 0.3685 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 9 23 1 0 0 0 0 | + | 9 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 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 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | 30 39 1 0 0 0 0 | + | 30 39 1 0 0 0 0 |
| − | 31 21 1 0 0 0 0 | + | 31 21 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 18 43 1 0 0 0 0 | + | 18 43 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 43 44 | + | M SAL 1 2 43 44 |
| − | M SBL 1 1 48 | + | M SBL 1 1 48 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 48 -0.7000 -0.3126 | + | M SBV 1 48 -0.7000 -0.3126 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0033 | + | ID FL3FAACS0033 |
| − | FORMULA C29H32O15 | + | FORMULA C29H32O15 |
| − | EXACTMASS 620.174120354 | + | EXACTMASS 620.174120354 |
| − | AVERAGEMASS 620.55538 | + | AVERAGEMASS 620.55538 |
| − | SMILES c(c1C(O5)=CC(=O)c(c52)c(cc(c2C(O3)C(OC(O4)C(O)C(O)C(OC(C)=O)C4C)C(C(C3CO)O)O)O)O)cc(cc1)O | + | SMILES c(c1C(O5)=CC(=O)c(c52)c(cc(c2C(O3)C(OC(O4)C(O)C(O)C(OC(C)=O)C4C)C(C(C3CO)O)O)O)O)cc(cc1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.6932 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6932 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9788 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2644 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2644 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9788 -0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4501 -2.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 -2.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 -1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4501 -0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4501 -3.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4074 -0.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0750 1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7556 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0075 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3591 0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0306 2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 2.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5025 -0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9788 -3.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0377 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7905 -1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5434 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5434 0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7905 0.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0377 0.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2959 0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9808 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3063 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5204 0.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3063 1.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9808 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7668 0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9189 2.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4287 1.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3311 1.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6112 0.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7297 2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7297 3.4295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2959 2.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3409 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0218 0.3685 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 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 23 1 0 0 0 0
9 23 1 0 0 0 0
26 29 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
34 36 1 0 0 0 0
33 37 1 0 0 0 0
35 38 1 0 0 0 0
30 39 1 0 0 0 0
31 21 1 0 0 0 0
36 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
43 44 1 0 0 0 0
18 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 CH2OH
M SBV 1 48 -0.7000 -0.3126
S SKP 5
ID FL3FAACS0033
FORMULA C29H32O15
EXACTMASS 620.174120354
AVERAGEMASS 620.55538
SMILES c(c1C(O5)=CC(=O)c(c52)c(cc(c2C(O3)C(OC(O4)C(O)C(O)C(OC(C)=O)C4C)C(C(C3CO)O)O)O)O)cc(cc1)O
M END
