Mol:FL7AAAGL0072
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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| − | 44 42 1 0 0 0 0 | + | 44 42 1 0 0 0 0 |
| − | 51 52 1 1 0 0 0 | + | 51 52 1 1 0 0 0 |
| − | 52 53 1 1 0 0 0 | + | 52 53 1 1 0 0 0 |
| − | 54 53 1 1 0 0 0 | + | 54 53 1 1 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 51 1 0 0 0 0 | + | 56 51 1 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 51 59 1 0 0 0 0 | + | 51 59 1 0 0 0 0 |
| − | 52 60 1 0 0 0 0 | + | 52 60 1 0 0 0 0 |
| − | 53 61 1 0 0 0 0 | + | 53 61 1 0 0 0 0 |
| − | 50 54 1 0 0 0 0 | + | 50 54 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 63 65 1 0 0 0 0 | + | 63 65 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
| − | 66 68 1 0 0 0 0 | + | 66 68 1 0 0 0 0 |
| − | 68 40 1 0 0 0 0 | + | 68 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGL0072 | + | ID FL7AAAGL0072 |
| − | KNApSAcK_ID C00014851 | + | KNApSAcK_ID C00014851 |
| − | NAME Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) | + | NAME Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside) |
| − | CAS_RN 215237-92-6 | + | CAS_RN 215237-92-6 |
| − | FORMULA C43H47O25 | + | FORMULA C43H47O25 |
| − | EXACTMASS 963.2406420539999 | + | EXACTMASS 963.2406420539999 |
| − | AVERAGEMASS 963.8182800000001 | + | AVERAGEMASS 963.8182800000001 |
| − | SMILES c(c6)(c(c(c7)ccc(c7)O)[o+1]c(c26)cc(OC(C(O)3)OC(COC(c(c5)ccc(c5)OC(C(O)4)OC(CO)C(C(O)4)O)=O)C(O)C(O)3)cc2O)OC(O1)C(C(O)C(C1COC(=O)CC(O)=O)O)O | + | SMILES c(c6)(c(c(c7)ccc(c7)O)[o+1]c(c26)cc(OC(C(O)3)OC(COC(c(c5)ccc(c5)OC(C(O)4)OC(CO)C(C(O)4)O)=O)C(O)C(O)3)cc2O)OC(O1)C(C(O)C(C1COC(=O)CC(O)=O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
68 74 0 0 0 0 0 0 0 0999 V2000
2.1001 1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1001 0.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 -0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5290 0.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5290 1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8146 1.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2435 -0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9580 0.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9580 1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2435 1.6332 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
5.7345 1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4490 1.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1635 1.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1635 2.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4490 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7345 2.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8037 2.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5201 1.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0072
KNApSAcK_ID C00014851
NAME Pelargonidin 3-(6-(malonyl)glucoside)-7-(6-(4-(glucosyl)-p-hydroxybenzoyl)glucoside)
CAS_RN 215237-92-6
FORMULA C43H47O25
EXACTMASS 963.2406420539999
AVERAGEMASS 963.8182800000001
SMILES c(c6)(c(c(c7)ccc(c7)O)[o+1]c(c26)cc(OC(C(O)3)OC(COC(c(c5)ccc(c5)OC(C(O)4)OC(CO)C(C(O)4)O)=O)C(O)C(O)3)cc2O)OC(O1)C(C(O)C(C1COC(=O)CC(O)=O)O)O
M END
