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CHEBI:67278 - Brialalepolide C

ChEBI IDCHEBI:67278
ChEBI NameBrialalepolide C
Stars
DefinitionA natural product found in Briareum species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H46O11
Net Charge0
Average Mass606.709
Monoisotopic Mass606.30401
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(=O)CCCCCCC)C[C@H](O)[C@@]1(C)C=C[C@@H](OC(C)=O)[C@@]2(C)O
InChIInChI=1S/C32H46O11/c1-8-9-10-11-12-13-25(36)41-21-17-22(35)29(5)15-14-23(39-19(3)33)30(6,38)26(29)27(40-20(4)34)32-24(16-18(21)2)42-28(37)31(32,7)43-32/h14-16,21-24,26-27,35,38H,8-13,17H2,1-7H3/b18-16-/t21-,22+,23-,24+,26-,27+,29-,30-,31+,32+/m1/s1
InChIKeyCEVYVRCWJDJLEW-LXIKAAAESA-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 C (CHEBI:67278) has role metabolite (CHEBI:25212)
Brialalepolide C (CHEBI:67278) is a fatty acid ester (CHEBI:35748)
Synonym  Source
(1S,2R,4aS,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-2,13-Diacetoxy-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-7-yl octanoateChEBI
Citations