CHEBI:68698 - rotiorinol B

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ChEBI Name rotiorinol B
Definition An azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9 a 5-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H28O6
Net Charge 0
Average Mass 400.46480
Monoisotopic Mass 400.18859
InChI InChI=1S/C23H28O6/c1-6-22(4,27)11-13(2)7-8-16-9-15-10-18-19(14(3)24)21(26)29-23(18,5)20(25)17(15)12-28-16/h7-12,18-20,25,27H,6H2,1-5H3/b8-7+,13-11+/t18?,19?,20-,22?,23-/m1/s1
SMILES CCC(C)(O)\C=C(C)\C=C\C1=CC2=CC3C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1
Metabolite of Species Details
Chaetomium cupreum (NCBI:txidtxid155874) See: PubMed
Roles Classification
Biological Role(s): Chaetomium metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
(via azaphilone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rotiorinol B (CHEBI:68698) has role Chaetomium metabolite (CHEBI:76960)
rotiorinol B (CHEBI:68698) is a γ-lactone (CHEBI:37581)
rotiorinol B (CHEBI:68698) is a azaphilone (CHEBI:50941)
rotiorinol B (CHEBI:68698) is a methyl ketone (CHEBI:51867)
rotiorinol B (CHEBI:68698) is a organic heterotricyclic compound (CHEBI:26979)
rotiorinol B (CHEBI:68698) is a tertiary alcohol (CHEBI:26878)
Synonym Source
6-acetyl-3-(5-hydroxy-3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one ChEBI
Manual Xref Database
9727827 ChemSpider
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Registry Number Type Source
15840536 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16792406 PubMed citation Europe PMC
Last Modified
14 October 2013