CHEBI:67278 - Brialalepolide C

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ChEBI Name Brialalepolide C
ChEBI ID CHEBI:67278
Definition A natural product found in Briareum species.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H46O11
Net Charge 0
Average Mass 606.70100
Monoisotopic Mass 606.30401
InChI InChI=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
InChIKey CEVYVRCWJDJLEW-LXIKAAAESA-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(=O)CCCCCCC)\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 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 octanoate 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:dioxanes(CHEBI:46926); ISA:gamma-lactone(CHEBI:37581); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxolanes(CHEBI:26912); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);