CHEBI:176109 - Hericenone F

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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 Hericenone F
ChEBI ID CHEBI:176109
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H54O6
Net Charge 0
Average Mass 570.811
Monoisotopic Mass 570.39204
InChI InChI=1S/C35H54O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(38)40-26-28-23-32(39-5)30-20-21-35(4,24-29(37)22-27(2)3)41-34(30)31(28)25-36/h22-23,25H,6-21,24,26H2,1-5H3
InChIKey ACYSSVIUKOTZQD-UHFFFAOYSA-N
SMILES O1C(CCC=2C1=C(C(=CC2OC)COC(=O)CCCCCCCCCCCCCCC)C=O)(CC(=O)C=C(C)C)C
ChEBI Ontology
Outgoing Hericenone F (CHEBI:176109) is a 1-benzopyran (CHEBI:38443)
IUPAC Name
[8-ormyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl hexadecanoate
Manual Xrefs Databases
9932452 ChemSpider
HMDB0039593 HMDB
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