Metasequirin D (CHEBI:69964)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	Metasequirin D

ChEBI ID	CHEBI:69964

Definition	A natural product found in Metasequoia glyptostroboides.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C19H22O6

Net Charge

Average Mass

346.37440

Monoisotopic Mass

346.14164

InChI

InChI=1S/C19H22O6/c1-24-18-9-12(4-7-15(18)21)3-6-14(17(23)11-20)13-5-8-16(22)19(10-13)25-2/h3-10,14,17,20-23H,11H2,1-2H3/b6-3+/t14-,17+/m0/s1

InChIKey

DCEHETRPHUXAHR-ORCRKBFJSA-N

SMILES

COc1cc(\C=C\[C@H]([C@H](O)CO)c2ccc(O)c(OC)c2)ccc1O

Metabolite of Species	Details
Metasequoia glyptostroboides (NCBI:txid3371)	Found in stem (BTO:0001300). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed
Metasequoia glyptostroboides (NCBI:txid3371)	Found in leaf (BTO:0000713). 95% ethanolic extract of air-dried, powdered stems and leaves 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.

ChEBI Ontology
Outgoing	Metasequirin D (CHEBI:69964) has role metabolite (CHEBI:25212) Metasequirin D (CHEBI:69964) is a phenylpropanoid (CHEBI:26004)

Synonym	Source
(E,2S,3S)-3,5-bis(4-hydroxy-3-methoxyphenyl)pent-4-ene-1,2-diol	ChEBI

Citation	Type	Source
21226514	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aliphatic alcohol(CHEBI:2571); ISA:styrenes(CHEBI:26799); ISA:aromatic ether(CHEBI:35618); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854);