CHEBI:67276 - Brialalepolide A

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ChEBI Name Brialalepolide A
ChEBI ID CHEBI:67276
Definition A natural product found in Briareum species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H34O11
Net Charge 0
Average Mass 522.54160
Monoisotopic Mass 522.21011
InChI InChI=1S/C26H34O11/c1-12-10-19-26(25(7,37-26)22(31)36-19)21(35-15(4)29)20-23(5,17(30)11-16(12)33-13(2)27)9-8-18(24(20,6)32)34-14(3)28/h8-10,16-21,30,32H,11H2,1-7H3/b12-10-/t16-,17+,18-,19+,20-,21+,23-,24-,25+,26+/m1/s1
InChIKey BWZBXZLDFBCKQZ-DJKOGTSVSA-N
SMILES [H][C@@]12OC(=O)[C@]3(C)O[C@]13[C@@H](OC(C)=O)[C@@]1([H])[C@](C)(O)[C@H](OC(C)=O)C=C[C@]1(C)[C@@H](O)C[C@@H](OC(C)=O)\C(C)=C/2
Metabolite of Species Details
Briareum (NCBI:txid86542) The CH2Cl2:MeOH (1:1) extract of Briareum sp 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Brialalepolide A (CHEBI:67276) has role metabolite (CHEBI:25212)
Brialalepolide A (CHEBI:67276) is a dioxanes (CHEBI:46926)
Synonym Source
(1S,2R,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-1,5-Dihydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,4a,5,6,7,9a,11,11a,13,13a-decahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-2,7,13-triyl triacetate ChEBI
Citation Waiting for Citations Type Source
21438584 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:gamma-lactone(CHEBI:37581); ISA:oxolanes(CHEBI:26912); ISA:tertiary alcohol(CHEBI:26878); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);