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CHEBI:65510 - Biyouyanagin A

ChEBI IDCHEBI:65510
ChEBI NameBiyouyanagin A
Stars
DefinitionA natural product found in Hypericum chinense var salicifolium.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H38O4
Net Charge0
Average Mass474.641
Monoisotopic Mass474.27701
SMILES[H][C@@]12C(C)=CC[C@]([H])([C@H](C)CCC=C(C)C)[C@]1([H])[C@]1([H])C(=O)[C@@]3(O[C@]21c1ccccc1)C(=O)OC[C@@]3(C)C=C
InChIInChI=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
InChIKeyHPOOJUSGIAKESV-FUPDMQGESA-N
Species of MetaboliteComponentSourceComments
Hypericum chinense var. salicifolium (IPNI:433826-1) leaf (BTO:0000713) PubMed (15987189)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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-dioneChEBI
Citations