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CHEBI:69397 - (5S,7R, 8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol

ChEBI IDCHEBI:69397
ChEBI Name(5S,7R, 8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol
Stars
DefinitionA natural product found in Acacia schaffneri and Acacia jacquemontii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@]12CCC(C=C)=C(C)[C@]1([H])O[C@@H](O)C[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H32O2/c1-6-14-8-9-15-18(13(14)2)22-17(21)12-16-19(3,4)10-7-11-20(15,16)5/h6,15-18,21H,1,7-12H2,2-5H3/t15-,16-,17+,18-,20+/m0/s1
InChIKeyLYHHJTUWLMOJRZ-HBWRTXEVSA-N
Species of MetaboliteComponentSourceComments
Acacia schaffneri (ncbitaxon:138041)
leaf (BTO:0000713) PubMed (21894904) n-hexane extract of air dried, ground flowers and leaves
flower (BTO:0000469) PubMed (21894904) n-hexane extract of air dried, ground flowers and leaves
Acacia jacquemontii (IPNI:470619-1) - PubMed (21894904)
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-dien-7-ol (CHEBI:69397) has role metabolite (CHEBI:25212)
(5S,7R, 8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol (CHEBI:69397) is a oxacycle (CHEBI:38104)
Citations