Mol:FL7AAHGL0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 62 67 0 0 0 0 0 0 0 0999 V2000 | + | 62 67 0 0 0 0 0 0 0 0999 V2000 |
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| − | 4.6422 14.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6422 14.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9794 14.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9794 14.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7474 14.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7474 14.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4928 15.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4928 15.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3305 14.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3305 14.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9955 14.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9955 14.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
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| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 13 43 1 0 0 0 0 | + | 13 43 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 52 1 0 0 0 0 | + | 46 52 1 0 0 0 0 |
| − | 47 19 1 0 0 0 0 | + | 47 19 1 0 0 0 0 |
| − | 49 53 1 0 0 0 0 | + | 49 53 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 55 57 1 0 0 0 0 | + | 55 57 1 0 0 0 0 |
| − | 58 60 1 0 0 0 0 | + | 58 60 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 15 61 1 0 0 0 0 | + | 15 61 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 3 58 59 60 | + | M SAL 1 3 58 59 60 |
| − | M SBL 1 1 65 | + | M SBL 1 1 65 |
| − | M SMT 1 ^ COOH | + | M SMT 1 ^ COOH |
| − | M SBV 1 65 0.7422 30.4657 | + | M SBV 1 65 0.7422 30.4657 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 61 62 | + | M SAL 2 2 61 62 |
| − | M SBL 2 1 67 | + | M SBL 2 1 67 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 67 0.0000 -0.6796 | + | M SBV 2 67 0.0000 -0.6796 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAHGL0014 | + | ID FL7AAHGL0014 |
| − | FORMULA C40H41O22 | + | FORMULA C40H41O22 |
| − | EXACTMASS 873.208947996 | + | EXACTMASS 873.208947996 |
| − | AVERAGEMASS 873.7403400000001 | + | AVERAGEMASS 873.7403400000001 |
| − | SMILES C(OC(=O)CC(O)=O)C(C1O)OC(Oc(c24)cc(O)cc2[o+1]c(c(OC(O5)C(C(O)C(C5COC(C=Cc(c6)ccc(O)c6)=O)O)O)c4)c(c3)cc(c(c3OC)O)O)C(O)C(O)1 | + | SMILES C(OC(=O)CC(O)=O)C(C1O)OC(Oc(c24)cc(O)cc2[o+1]c(c(OC(O5)C(C(O)C(C5COC(C=Cc(c6)ccc(O)c6)=O)O)O)c4)c(c3)cc(c(c3OC)O)O)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
62 67 0 0 0 0 0 0 0 0999 V2000
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0.0982 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6166 16.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 14.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 14.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5277 15.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 16.1540 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.2422 16.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9707 15.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6992 16.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6992 16.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9707 17.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2422 16.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0459 16.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3891 17.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6166 13.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2923 14.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.9680 14.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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55 57 1 0 0 0 0
58 60 1 0 0 0 0
58 59 2 0 0 0 0
57 58 1 0 0 0 0
61 62 1 0 0 0 0
15 61 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 58 59 60
M SBL 1 1 65
M SMT 1 ^ COOH
M SBV 1 65 0.7422 30.4657
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 61 62
M SBL 2 1 67
M SMT 2 OCH3
M SBV 2 67 0.0000 -0.6796
S SKP 5
ID FL7AAHGL0014
FORMULA C40H41O22
EXACTMASS 873.208947996
AVERAGEMASS 873.7403400000001
SMILES C(OC(=O)CC(O)=O)C(C1O)OC(Oc(c24)cc(O)cc2[o+1]c(c(OC(O5)C(C(O)C(C5COC(C=Cc(c6)ccc(O)c6)=O)O)O)c4)c(c3)cc(c(c3OC)O)O)C(O)C(O)1
M END
