CHEBI:197979 - Pestalol D

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 Pestalol D
ChEBI ID CHEBI:197979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O3
Net Charge 0
Average Mass 234.295
Monoisotopic Mass 234.12559
InChI InChI=1S/C14H18O3/c1-11(16)6-3-2-4-7-12-8-5-9-14(17)13(12)10-15/h4-5,7-11,16-17H,2-3,6H2,1H3/t11-/m0/s1
InChIKey IXCJIFVAQRHSSH-NSHDSACASA-N
SMILES O=CC1=C(O)C=CC=C1C=CCCC[C@@H](O)C
Metabolite of Species Details
Pestalotiopsisspecies AcBC2 (NCBI:txid1128078) See: PubMed
ChEBI Ontology
Outgoing Pestalol D (CHEBI:197979) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
2-hydroxy-6-(6-hydroxyhept-1-enyl)benzaldehyde