CHEBI:166655 - 5-Heneicosyl-1,3-benzenediol

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ChEBI Name 5-Heneicosyl-1,3-benzenediol
ChEBI ID CHEBI:166655
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H48O2
Net Charge 0
Average Mass 404.679
Monoisotopic Mass 404.36543
InChI InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3
InChIKey BLHLKJLSYHEOGY-UHFFFAOYSA-N
SMILES OC1=CC(CCCCCCCCCCCCCCCCCCCCC)=CC(O)=C1
ChEBI Ontology
Outgoing 5-Heneicosyl-1,3-benzenediol (CHEBI:166655) is a resorcinols (CHEBI:33572)
IUPAC Name
5-henicosylbenzene-1,3-diol
Manual Xrefs Databases
136952 ChemSpider
HMDB0031035 HMDB
LMPK15030005 LIPID MAPS
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Registry Number Type Source
70110-59-7 CAS Registry Number ChemIDplus