CHEBI:206784 - Arvoredol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Arvoredol
ChEBI ID CHEBI:206784
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H29ClO7
Net Charge 0
Average Mass 428.910
Monoisotopic Mass 428.16018
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
SMILES Cl[C@]1(C(=O)C2=C(OC(=C2)/C=C/[C@](O)([C@H](O)C(CC)C)C)[C@H]([C@@H]1OC(=O)C)CO)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
62233288 ChemSpider
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