CHEBI:205815 - Quadricinctafuran A

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 Quadricinctafuran A
ChEBI ID CHEBI:205815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O4
Net Charge 0
Average Mass 236.267
Monoisotopic Mass 236.10486
InChI InChI=1S/C13H16O4/c1-7-4-9(12(14)15)5-8-6-10(13(2,3)16)17-11(7)8/h4-5,10,16H,6H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKey DDPNJIDEGFMZNS-JTQLQIEISA-N
SMILES O=C(O)C1=CC(=C2O[C@@H](CC2=C1)C(O)(C)C)C
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: PubMed
ChEBI Ontology
Outgoing Quadricinctafuran A (CHEBI:205815) is a 1-benzofurans (CHEBI:38830)
IUPAC Name
(2S)-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1-benzouran-5-carboxylic acid
Manual Xref Database
58197073 ChemSpider
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