CHEBI:191484 - 4,7-Megastigmadien-9-ol

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 4,7-Megastigmadien-9-ol
ChEBI ID CHEBI:191484
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H22O
Net Charge 0
Average Mass 194.318
Monoisotopic Mass 194.16707
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+
InChIKey PWDOJWCZWKWKSE-BQYQJAHWSA-N
SMILES OC(\C=C\C1C(CCC=C1C)(C)C)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing 4,7-Megastigmadien-9-ol (CHEBI:191484) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
Manual Xrefs Databases
4516121 ChemSpider
HMDB0038731 HMDB
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Registry Number Type Source
472-78-6 CAS Registry Number ChemIDplus