CHEBI:174288 - 4-Nerolidylcatechol

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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-Nerolidylcatechol
ChEBI ID CHEBI:174288
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O2
Net Charge 0
Average Mass 314.469
Monoisotopic Mass 314.22458
InChI InChI=1S/C21H30O2/c1-6-21(5,18-12-13-19(22)20(23)15-18)14-8-11-17(4)10-7-9-16(2)3/h6,9,11-13,15,22-23H,1,7-8,10,14H2,2-5H3/b17-11+
InChIKey ZBZZDHDWRSFLAY-GZTJUZNOSA-N
SMILES OC=1C=C(C(CC/C=C(/CCC=C(C)C)\C)(C)C=C)C=CC1O
ChEBI Ontology
Outgoing 4-Nerolidylcatechol (CHEBI:174288) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
Manual Xrefs Databases
4509046 ChemSpider
HMDB0031924 HMDB
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Registry Number Type Source
74683-11-7 CAS Registry Number ChemIDplus