Veraguensin (CHEBI:69669)

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ChEBI Name	Veraguensin

ChEBI ID	CHEBI:69669

Definition	A natural product found in Acorus gramineus.

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

Supplier Information

Download	Molfile XML SDF

Formula

C22H28O5

Net Charge

Average Mass

372.45470

Monoisotopic Mass

372.19367

InChI

InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m0/s1

InChIKey

JLJAVUZBHSLLJL-GKHNXXNSSA-N

SMILES

COc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@@H]1C)c1ccc(OC)c(OC)c1

Metabolite of Species	Details
Acorus gramineus (NCBI:txid55184)	Found in rhizome (BTO:0001181). 80% aqueous methanolic extract of rhizomes. 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	Veraguensin (CHEBI:69669) has role metabolite (CHEBI:25212) Veraguensin (CHEBI:69669) is a lignan (CHEBI:25036)

Synonym	Source
(2R,3S,4S,5S)-2,5-Bis(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran	ChEBI

Registry Number	Type	Source
19950-55-1	CAS Registry Number	KEGG COMPOUND

Citation	Type	Source
21936523	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:lignan(CHEBI:25036); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:oxolanes(CHEBI:26912); ISA:ether(CHEBI:25698);