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

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ChEBI Name	(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-dien-7-ol-17-al

ChEBI ID	CHEBI:69396

Definition	A natural product found in Acacia jacquemontii and Acacia schaffneri.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O3

Net Charge

Average Mass

318.45040

Monoisotopic Mass

318.21949

InChI

InChI=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

InChIKey

DJMWXXLWWILMGF-HBWRTXEVSA-N

SMILES

[H][C@@]12O[C@@H](O)C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@]1([H])CCC(C=C)=C2C=O

Metabolite of Species	Details
Acacia jacquemontii (IPNI:470619-1)	See: PubMed
Acacia schaffneri (NCBI:txid138041)	Found in leaf (BTO:0000713). n-hexane extract of air dried, ground flowers and leaves See: PubMed
Acacia schaffneri (NCBI:txid138041)	Found in flower (BTO:0000469). n-hexane extract of air dried, ground flowers and leaves 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.

ChEBI Ontology
Outgoing	(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)

Citation	Type	Source
21894904	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:hemiacetal(CHEBI:5653); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);