Difference between revisions of "CPD1F-453"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8355 CPD-8355] == * smiles: ** CCCCCCCCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O * inchi ke...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-453 CPD1F-453] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C1(C=C(O)C=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4))) |
| + | * molecular weight: | ||
| + | ** 447.374 | ||
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=JPUKWEQWGBDDQB-QSOFNFLRSA-M |
* common name: | * common name: | ||
| − | ** | + | ** kaempferol-3-glucoside |
| − | + | ||
| − | + | ||
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** kaempferol-3-O-D-glucoside |
| − | ** | + | ** kaempferol 3-O-β-D-glucoside |
| + | ** astragalin | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[ | + | * [[RXN1F-461]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC30200 |
| − | ** [http:// | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C12249 C12249] | ||
| + | * LIPID_MAPS : LMPK12111725 | ||
| + | * HMDB : HMDB37429 | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30200 30200] |
| − | * | + | * PUBCHEM: |
| − | {{#set: smiles= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203515 25203515] |
| − | {{#set: | + | {{#set: smiles=C1(C=C(O)C=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))}} |
| − | {{#set: | + | {{#set: molecular weight=447.374 }} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=JPUKWEQWGBDDQB-QSOFNFLRSA-M}} |
| − | {{#set: common name= | + | {{#set: common name=kaempferol-3-glucoside}} |
| − | + | {{#set: common name=kaempferol-3-O-D-glucoside|kaempferol 3-O-β-D-glucoside|astragalin}} | |
| − | + | {{#set: produced by=RXN1F-461}} | |
| − | {{#set: | + | |
Latest revision as of 16:16, 9 January 2019
Contents
Metabolite CPD1F-453
- smiles:
- C1(C=C(O)C=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))
- molecular weight:
- 447.374
- inchi key:
- InChIKey=JPUKWEQWGBDDQB-QSOFNFLRSA-M
- common name:
- kaempferol-3-glucoside
- Synonym(s):
- kaempferol-3-O-D-glucoside
- kaempferol 3-O-β-D-glucoside
- astragalin
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC30200
- LIGAND-CPD:
- LIPID_MAPS : LMPK12111725
- HMDB : HMDB37429
- CHEBI:
- PUBCHEM:
"C1(C=C(O)C=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))" cannot be used as a page name in this wiki.
