CHEBI:229631 - Auraptenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Auraptenol
ChEBI ID CHEBI:229631
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C15H16O4
Net Charge 0
Average Mass 260.289
Monoisotopic Mass 260.10486
InChI InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3/t12-/m0/s1
InChIKey SQSRYWNOKPJENY-LBPRGKRZSA-N
SMILES O1C=2C(C[C@H](O)C(C)=C)=C(OC)C=CC2C=CC1=O
Metabolite of Species Details
Microbial community See: MetaboLights Study
ChEBI Ontology
Outgoing Auraptenol (CHEBI:229631) is a coumarins (CHEBI:23403)
IUPAC Name
8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one