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

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ChEBI Name	(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol

ChEBI ID	CHEBI:69395

Definition	A natural product found in Acacia schaffneri.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H32O3

Net Charge

Average Mass

320.46630

Monoisotopic Mass

320.23514

InChI

InChI=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

InChIKey

AXIGYXLFTGICHT-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)=C2CO

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

Citation	Type	Source
21894904	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:hemiacetal(CHEBI:5653); ISA:primary alcohol(CHEBI:15734);