Difference between revisions of "CPD-14115"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14115 CPD-14115] == * smiles: ** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O) * common name...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O) | ** C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 242.274 | ** 242.274 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N | ||
| + | * common name: | ||
| + | ** (S)-equol | ||
* Synonym(s): | * Synonym(s): | ||
** 4',7-isoflavandiol | ** 4',7-isoflavandiol | ||
| Line 17: | Line 17: | ||
* [[RXN-15589]] | * [[RXN-15589]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=34741 34741] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=34741 34741] | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91469 91469] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91469 91469] | ||
* HMDB : HMDB02209 | * HMDB : HMDB02209 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C14131 C14131] | ||
| + | * Wikipedia : Equol | ||
{{#set: smiles=C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)}} | {{#set: smiles=C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=242.274 }} | {{#set: molecular weight=242.274 }} | ||
| + | {{#set: inchi key=InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N}} | ||
| + | {{#set: common name=(S)-equol}} | ||
{{#set: common name=4',7-isoflavandiol}} | {{#set: common name=4',7-isoflavandiol}} | ||
{{#set: reversible reaction associated=RXN-15589}} | {{#set: reversible reaction associated=RXN-15589}} | ||
Latest revision as of 11:21, 10 January 2019
Contents
Metabolite CPD-14115
- smiles:
- C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)
- molecular weight:
- 242.274
- inchi key:
- InChIKey=ADFCQWZHKCXPAJ-GFCCVEGCSA-N
- common name:
- (S)-equol
- Synonym(s):
- 4',7-isoflavandiol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
