CHEBI:172742 - Hericene A

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 Hericene A
ChEBI ID CHEBI:172742
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H56O5
Net Charge 0
Average Mass 556.828
Monoisotopic Mass 556.41277
InChI InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+
InChIKey PLUINHYLFTYIKB-BYNJWEBRSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)CC=1C(=C(O)C(C\C=C(\CCC=C(C)C)/C)=C(OC)C1)C=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Hericene A (CHEBI:172742) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl hexadecanoate
Manual Xrefs Databases
28289227 ChemSpider
HMDB0041179 HMDB
View more database links