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

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

ChEBI ID	CHEBI:69397

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

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H32O2

Net Charge

Average Mass

304.46690

Monoisotopic Mass

304.24023

InChI

InChI=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

InChIKey

LYHHJTUWLMOJRZ-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

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 (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)

Citation	Type	Source
21894904	PubMed citation	Europe PMC

Last Modified

22 September 2014

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