CHEBI:200508 - 3,11,12-trihydroxycadalene

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 3,11,12-trihydroxycadalene
ChEBI ID CHEBI:200508
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O3
Net Charge 0
Average Mass 246.306
Monoisotopic Mass 246.12559
InChI InChI=1S/C15H18O3/c1-9-4-5-13(15(3,18)8-16)12-6-10(2)14(17)7-11(9)12/h4-7,16-18H,8H2,1-3H3/t15-/m0/s1
InChIKey NUGNBKUCKSHEKS-HNNXBMFYSA-N
SMILES OC=1C(=CC2=C(C=CC(=C2C1)C)[C@@](O)(CO)C)C
Metabolite of Species Details
Phomopsis (NCBI:txid34399) See: PubMed
ChEBI Ontology
Outgoing 3,11,12-trihydroxycadalene (CHEBI:200508) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
2-(6-hydroxy-4,7-dimethylnaphthalen-1-yl)propane-1,2-diol
Manual Xref Database
17245274 ChemSpider
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