daibulactone B, (rel)- (CHEBI:69071)

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ChEBI Name	daibulactone B, (rel)-

ChEBI ID	CHEBI:69071

Definition	A natural product found in Neolitsea daibuensis.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H16O5

Net Charge

Average Mass

276.28450

Monoisotopic Mass

276.09977

InChI

InChI=1S/C15H16O5/c1-15-5-11-13(9(6-16)7-18-11)10-4-8(14(17)19-10)2-3-12(15)20-15/h4,7,10,12,16H,2-3,5-6H2,1H3/t10-,12-,15-/m1/s1

InChIKey

ZPKVSOBSXNUENY-IXPVHAAZSA-N

SMILES

[H][C@@]12CCC3=C[C@@]([H])(OC3=O)c3c(CO)coc3C[C@@]1(C)O2

Metabolite of Species	Details
Neolitsea daibuensis (IPNI:466954-1)	Found in root (BTO:0001188). Cold MeOH extract of dried roots 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	daibulactone B, (rel)- (CHEBI:69071) has role metabolite (CHEBI:25212) daibulactone B, (rel)- (CHEBI:69071) is a butenolide (CHEBI:50523)

Citation	Type	Source
22148193	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:enoate ester(CHEBI:51702); ISA:furans(CHEBI:24129); ISA:lactone(CHEBI:25000); ISA:epoxide(CHEBI:32955); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);