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CHEBI:67276 - Brialalepolide A

ChEBI IDCHEBI:67276
ChEBI NameBrialalepolide A
Stars
DefinitionA natural product found in Briareum species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H34O11
Net Charge0
Average Mass522.547
Monoisotopic Mass522.21011
SMILES[H][C@@]12[C@H](OC(C)=O)[C@]34O[C@@]3(C)C(=O)O[C@@]4([H])/C=C(/C)[C@H](OC(C)=O)C[C@H](O)[C@@]1(C)C=C[C@@H](OC(C)=O)[C@@]2(C)O
InChIInChI=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
InChIKeyBWZBXZLDFBCKQZ-DJKOGTSVSA-N
Species of MetaboliteComponentSourceComments
Briareum (ncbitaxon:86542) - PubMed (21438584) The CH2Cl2:MeOH (1:1) extract of Briareum sp
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 triacetateChEBI
Citations