CHEBI:59113 - 3-heptadecylveratrole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-heptadecylveratrole
ChEBI ID CHEBI:59113
Definition A dimethoxybenzene that is veratrole substituted at position 3 with a heptadecyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H44O2
Net Charge 0
Average Mass 376.61570
Monoisotopic Mass 376.334
InChI InChI=1S/C25H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(26-2)25(23)27-3/h19,21-22H,4-18,20H2,1-3H3
InChIKey AKIPZQOCJIZIPE-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCc1cccc(OC)c1OC
ChEBI Ontology
Outgoing 3-heptadecylveratrole (CHEBI:59113) has functional parent veratrole (CHEBI:59114)
3-heptadecylveratrole (CHEBI:59113) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name
1-heptadecyl-2,3-dimethoxybenzene
Synonyms Sources
3-n-heptadecylveratrole ChEBI
HDV ChEBI
Registry Numbers Types Sources
3391554 Reaxys Registry Number Reaxys
3391554 Beilstein Registry Number Beilstein
72587-79-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
3742608 PubMed citation Europe PMC
Last Modified
16 February 2016