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CHEBI:69396 - (5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al

ChEBI IDCHEBI:69396
ChEBI Name(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al
Stars
DefinitionA natural product found in Acacia jacquemontii and Acacia schaffneri.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@]12CCC(C=C)=C(C=O)[C@]1([H])O[C@@H](O)C[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H30O3/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/h5,12,15-18,22H,1,6-11H2,2-4H3/t15-,16-,17+,18-,20+/m0/s1
InChIKeyDJMWXXLWWILMGF-HBWRTXEVSA-N
Species of MetaboliteComponentSourceComments
Acacia jacquemontii (IPNI:470619-1) - PubMed (21894904)
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
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-17-al (CHEBI:69396) has role metabolite (CHEBI:25212)
(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al (CHEBI:69396) is a oxacycle (CHEBI:38104)
Citations