CHEBI:203361 - Aspergillumarin B

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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 Aspergillumarin B
ChEBI ID CHEBI:203361
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=1S/C14H18O4/c1-9(15)4-2-6-11-8-10-5-3-7-12(16)13(10)14(17)18-11/h3,5,7,9,11,15-16H,2,4,6,8H2,1H3/t9-,11+/m0/s1
InChIKey JDIGWVAMJGGRBY-GXSJLCMTSA-N
SMILES O=C1O[C@@H](CC=2C1=C(O)C=CC2)CCC[C@@H](O)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Aspergillumarin B (CHEBI:203361) is a 2-benzopyran (CHEBI:38444)
IUPAC Name
(3R)-8-hydroxy-3-[(4S)-4-hydroxypentyl]-3,4-dihydroisochromen-1-one
Manual Xref Database
29416663 ChemSpider
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