CHEBI:70254 - 3'-O-methylepicatechin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3'-O-methylepicatechin
ChEBI ID CHEBI:70254
Definition A natural product found in Parapiptadenia rigida.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H16O6
Net Charge 0
Average Mass 304.29460
Monoisotopic Mass 304.09469
InChI InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1
InChIKey NJHJXXLBWQXMRO-CZUORRHYSA-N
SMILES COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O
Metabolite of Species Details
Parapiptadenia rigida (NCBI:txid148713) Found in bark (BTO:0001301). Ethanolic extract of air-dried, powdered bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3'-O-methylepicatechin (CHEBI:70254) has role metabolite (CHEBI:25212)
3'-O-methylepicatechin (CHEBI:70254) is a catechin (CHEBI:23053)
Synonyms Sources
(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol ChEBI
Symplocosidin ChEBI
Manual Xref Database
HMDB0029175 HMDB
View more database links
Citation Waiting for Citations Type Source
21080642 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:flavonoids(CHEBI:72544); ISA:ether(CHEBI:25698); ISA:hydroxyflavonoid(CHEBI:71968); ISA:1-benzopyran(CHEBI:38443); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:resorcinols(CHEBI:33572); ISA:aromatic ether(CHEBI:35618); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:aromatic alcohol(CHEBI:33854);