CHEBI:48707 - (−)-citrinin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (−)-citrinin
ChEBI ID CHEBI:48707
ChEBI ASCII Name (-)-citrinin
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C13H14O5
Net Charge 0
Average Mass 250.24730
Monoisotopic Mass 250.08412
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChIKey CQIUKKVOEOPUDV-IYSWYEEDSA-N
SMILES C[C@H]1OC=C2C(O)=C(C(O)=O)C(=O)C(C)=C2[C@@H]1C
Metabolite of Species Details
Penicillium citrinum (NCBI:txid5077) Penicillium species isolated from a seaweed caulerpa sp. of strain F53 See: PubMed
Roles Classification
Biological Role(s): Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-citrinin (CHEBI:48707) has role Penicillium metabolite (CHEBI:76964)
(−)-citrinin (CHEBI:48707) is a citrinin (CHEBI:48708)
(−)-citrinin (CHEBI:48707) is enantiomer of (+)-citrinin (CHEBI:48712)
Incoming (+)-citrinin (CHEBI:48712) is enantiomer of (−)-citrinin (CHEBI:48707)
IUPAC Name
(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Synonyms Sources
(3R,4S)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid NIST Chemistry WebBook
(3R-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid NIST Chemistry WebBook
citrinin ChemIDplus
Manual Xrefs Databases
C00029979 KNApSAcK
C16765 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
518-75-2 CAS Registry Number KEGG COMPOUND
518-75-2 CAS Registry Number NIST Chemistry WebBook
5282243 Beilstein Registry Number Beilstein
88597 Beilstein Registry Number Beilstein
Last Modified
26 May 2015