CHEBI:70396 - hyperaspidinol A

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ChEBI Name hyperaspidinol A
ChEBI ID CHEBI:70396
Definition An organic heterotricyclic compound found in Hypericum chinense.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H32O9
Net Charge 0
Average Mass 560.59110
Monoisotopic Mass 560.20463
InChI InChI=1S/C32H32O9/c1-16(2)9-22(33)28-29(34)17(3)30(35-4)21-11-20-13-25(18-5-7-23-26(10-18)38-14-36-23)40-32(20,41-31(21)28)19-6-8-24-27(12-19)39-15-37-24/h5-8,10,12,16,20,25,34H,9,11,13-15H2,1-4H3/t20-,25-,32?/m0/s1
InChIKey YDLZATQDFWVOBH-XCOQECSBSA-N
SMILES COc1c(C)c(O)c(C(=O)CC(C)C)c2OC3(O[C@@H](C[C@@H]3Cc12)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Metabolite of Species Details
Hypericum chinense (IPNI:433315-1) Found in leaf (BTO:0000713). 95% EtOH extract of dried, chopped leaves See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hyperaspidinol A (CHEBI:70396) has role plant metabolite (CHEBI:76924)
hyperaspidinol A (CHEBI:70396) is a aromatic ketone (CHEBI:76224)
hyperaspidinol A (CHEBI:70396) is a benzodioxoles (CHEBI:38298)
hyperaspidinol A (CHEBI:70396) is a monomethoxybenzene (CHEBI:25235)
hyperaspidinol A (CHEBI:70396) is a organic heterotricyclic compound (CHEBI:26979)
hyperaspidinol A (CHEBI:70396) is a phenols (CHEBI:33853)
IUPAC Name
1-[(2S,3aS)-2,9a-bis(2H-1,3-benzodioxol-5-yl)-7-hydroxy-5-methoxy-6-methyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b][1]benzopyran-8-yl]-3-methylbutan-1-one
Registry Number Type Source
21068378 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21043475 PubMed citation Europe PMC
Last Modified
22 June 2015