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CHEBI:69395 - (5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol

ChEBI IDCHEBI:69395
ChEBI Name(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol
Stars
DefinitionA natural product found in Acacia schaffneri.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILES[H][C@]12CCC(C=C)=C(CO)[C@]1([H])O[C@@H](O)C[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H32O3/c1-5-13-7-8-15-18(14(13)12-21)23-17(22)11-16-19(2,3)9-6-10-20(15,16)4/h5,15-18,21-22H,1,6-12H2,2-4H3/t15-,16-,17+,18-,20+/m0/s1
InChIKeyAXIGYXLFTGICHT-HBWRTXEVSA-N
Species of MetaboliteComponentSourceComments
Acacia schaffneri (ncbitaxon:138041)
flower (BTO:0000469) PubMed (21894904) n-hexane extract of air dried, ground flowers and leaves
leaf (BTO:0000713) PubMed (21894904) n-hexane extract of air dried, ground flowers and leaves
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)
(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol (CHEBI:69395) has role metabolite (CHEBI:25212)
(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol (CHEBI:69395) is a oxacycle (CHEBI:38104)
Citations