CHEBI:218350 - 2-carene-5,8-diol

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 2-carene-5,8-diol
ChEBI ID CHEBI:218350
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H16O2
Net Charge 0
Average Mass 168.236
Monoisotopic Mass 168.11503
InChI InChI=1S/C10H16O2/c1-6-3-7-9(8(12)4-6)10(7,2)5-11/h3,7-9,11-12H,4-5H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKey AKYVUVFJKLYXJB-KYXWUPHJSA-N
SMILES O[C@H]1[C@@H]2[C@](CO)(C)[C@@H]2C=C(C1)C
Metabolite of Species Details
Periconia (NCBI:txid97971) See: PubMed
ChEBI Ontology
Outgoing 2-carene-5,8-diol (CHEBI:218350) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol