CHEBI:226693 - Aspertenol A

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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 Aspertenol A
ChEBI ID CHEBI:226693
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O7
Net Charge 0
Average Mass 508.611
Monoisotopic Mass 508.24610
InChI InChI=1S/C30H36O7/c1-18(2)7-6-10-30(5,35)25-9-8-21(14-26(25)32)17-36-29(34)28-20(4)13-24(16-27(28)33)37-23-12-19(3)11-22(31)15-23/h8-9,11-16,18,31-33,35H,6-7,10,17H2,1-5H3/t30-/m0/s1
InChIKey GFQYUAXCYBTWIJ-PMERELPUSA-N
SMILES O=C(OCC1=CC(O)=C([C@@](O)(CCCC(C)C)C)C=C1)C2=C(O)C=C(OC3=CC(O)=CC(=C3)C)C=C2C
Metabolite of Species Details
Aspergillus tennesseensis (NCBI:txid1220210) See: PubMed
ChEBI Ontology
Outgoing Aspertenol A (CHEBI:226693) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenyl]methyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate
Manual Xref Database
78438839 ChemSpider
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