CHEBI:65510 - Biyouyanagin A

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ChEBI Name Biyouyanagin A
ChEBI ID CHEBI:65510
Definition A natural product found in Hypericum chinense var salicifolium.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H38O4
Net Charge 0
Average Mass 474.63100
Monoisotopic Mass 474.27701
InChI InChI=1S/C31H38O4/c1-7-29(6)18-34-28(33)31(29)27(32)26-24-23(20(4)13-11-12-19(2)3)17-16-21(5)25(24)30(26,35-31)22-14-9-8-10-15-22/h7-10,12,14-16,20,23-26H,1,11,13,17-18H2,2-6H3/t20-,23-,24+,25-,26-,29-,30-,31-/m1/s1
InChIKey HPOOJUSGIAKESV-FUPDMQGESA-N
SMILES [H][C@@]1(CC=C(C)[C@]2([H])[C@@]1([H])[C@]1([H])C(=O)[C@@]3(O[C@]21c1ccccc1)C(=O)OC[C@@]3(C)C=C)[C@H](C)CCC=C(C)C
Metabolite of Species Details
Hypericum chinense var. salicifolium (IPNI:433826-1) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Biyouyanagin A (CHEBI:65510) has role metabolite (CHEBI:25212)
Biyouyanagin A (CHEBI:65510) is a terpene lactone (CHEBI:37668)
Synonym Source
(2R,3aS,3bS,4R,4'R,7aS,7bR)-4',7-Dimethyl-4-[(2R)-6-methyl-5-hepten-2-yl]-7b-phenyl-4'-vinyl-3a,3b,4,4',5,5',7a,7b-octahydro-3H-spiro[benzo[3,4]cyclobuta[1,2-b]furan-2,3'-furan]-2',3-dione ChEBI
Citation Waiting for Citations Type Source
15987189 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:sesquiterpenoid(CHEBI:26658); ISA:oxacycle(CHEBI:38104); ISA:oxolanes(CHEBI:26912); ISA:monosaccharide(CHEBI:35381); ISA:gamma-lactone(CHEBI:37581); ISA:benzenes(CHEBI:22712); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384);