Arvoredol (CHEBI:206784)

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CHEBI:206784 - Arvoredol

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ChEBI ID	CHEBI:206784
ChEBI Name	Arvoredol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H29ClO7
Net Charge	0
Average Mass	428.909
Monoisotopic Mass	428.16018
SMILES	CCC(C)[C@@H](O)[C@@](C)(O)/C=C/c1cc2c(o1)[C@@H](CO)[C@H](OC(C)=O)[C@@](C)(Cl)C2=O
InChI	InChI=1S/C21H29ClO7/c1-6-11(2)17(25)20(4,27)8-7-13-9-14-16(29-13)15(10-23)19(28-12(3)24)21(5,22)18(14)26/h7-9,11,15,17,19,23,25,27H,6,10H2,1-5H3/b8-7+/t11?,15-,17-,19+,20+,21+/m1/s1
InChIKey	RNAWWYSOSNMVQZ-VZAOXIDZSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1016/j.phytol.2017.04.010)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Arvoredol (CHEBI:206784) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
[(5R,6S,7S)-5-chloro-2-[(E,3S,4R)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7-(hydroxymethyl)-5-methyl-4-oxo-6,7-dihydro-1-benzouran-6-yl] acetate

Manual Xrefs	Databases
62233288	ChemSpider