Mol:FL7AAIGL0036
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 55 50 1 0 0 0 0 | + | 55 50 1 0 0 0 0 |
| − | 53 56 1 0 0 0 0 | + | 53 56 1 0 0 0 0 |
| − | 45 37 1 0 0 0 0 | + | 45 37 1 0 0 0 0 |
| − | 57 58 1 1 0 0 0 | + | 57 58 1 1 0 0 0 |
| − | 58 59 1 1 0 0 0 | + | 58 59 1 1 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 57 65 1 0 0 0 0 | + | 57 65 1 0 0 0 0 |
| − | 58 66 1 0 0 0 0 | + | 58 66 1 0 0 0 0 |
| − | 59 67 1 0 0 0 0 | + | 59 67 1 0 0 0 0 |
| − | 56 60 1 0 0 0 0 | + | 56 60 1 0 0 0 0 |
| − | 68 69 2 0 0 0 0 | + | 68 69 2 0 0 0 0 |
| − | 68 70 1 0 0 0 0 | + | 68 70 1 0 0 0 0 |
| − | 70 71 2 0 0 0 0 | + | 70 71 2 0 0 0 0 |
| − | 71 72 1 0 0 0 0 | + | 71 72 1 0 0 0 0 |
| − | 72 73 2 0 0 0 0 | + | 72 73 2 0 0 0 0 |
| − | 73 74 1 0 0 0 0 | + | 73 74 1 0 0 0 0 |
| − | 74 75 2 0 0 0 0 | + | 74 75 2 0 0 0 0 |
| − | 75 76 1 0 0 0 0 | + | 75 76 1 0 0 0 0 |
| − | 76 77 2 0 0 0 0 | + | 76 77 2 0 0 0 0 |
| − | 77 72 1 0 0 0 0 | + | 77 72 1 0 0 0 0 |
| − | 75 78 1 0 0 0 0 | + | 75 78 1 0 0 0 0 |
| − | 74 79 1 0 0 0 0 | + | 74 79 1 0 0 0 0 |
| − | 64 68 1 0 0 0 0 | + | 64 68 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAIGL0036 | + | ID FL7AAIGL0036 |
| − | FORMULA C53H57O26 | + | FORMULA C53H57O26 |
| − | EXACTMASS 1109.313806996 | + | EXACTMASS 1109.313806996 |
| − | AVERAGEMASS 1110.00408 | + | AVERAGEMASS 1110.00408 |
| − | SMILES C(c(c8)ccc(O)c8O)=CC(=O)OCC(C(O)7)OC(C(O)C7O)Oc(c1)ccc(C=CC(=O)OC(C(C)2)C(C(C(OCC(O3)C(C(C(O)C3Oc(c6)c([o+1]c(c65)cc(O)cc5O)c(c4)cc(OC)c(O)c(OC)4)O)O)O2)O)O)c1 | + | SMILES C(c(c8)ccc(O)c8O)=CC(=O)OCC(C(O)7)OC(C(O)C7O)Oc(c1)ccc(C=CC(=O)OC(C(C)2)C(C(C(OCC(O3)C(C(C(O)C3Oc(c6)c([o+1]c(c65)cc(O)cc5O)c(c4)cc(OC)c(O)c(OC)4)O)O)O2)O)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
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0.9204 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2060 1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3494 0.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3494 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6349 1.9606 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.1259 1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8404 1.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5549 1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5549 2.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8404 3.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1259 2.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1951 3.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.8404 3.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.9369 2.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9996 0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.3509 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.3456 0.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.2910 -0.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 10 1
S SKP 5
ID FL7AAIGL0036
FORMULA C53H57O26
EXACTMASS 1109.313806996
AVERAGEMASS 1110.00408
SMILES C(c(c8)ccc(O)c8O)=CC(=O)OCC(C(O)7)OC(C(O)C7O)Oc(c1)ccc(C=CC(=O)OC(C(C)2)C(C(C(OCC(O3)C(C(C(O)C3Oc(c6)c([o+1]c(c65)cc(O)cc5O)c(c4)cc(OC)c(O)c(OC)4)O)O)O2)O)O)c1
M END
