CHEBI:67277 - Brialalepolide B

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ChEBI Name Brialalepolide B
ChEBI ID CHEBI:67277
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 C30H42O11
Net Charge 0
Average Mass 578.64790
Monoisotopic Mass 578.27271
InChI InChI=1S/C30H42O11/c1-8-9-10-11-23(34)39-19-15-20(33)27(5)13-12-21(37-17(3)31)28(6,36)24(27)25(38-18(4)32)30-22(14-16(19)2)40-26(35)29(30,7)41-30/h12-14,19-22,24-25,33,36H,8-11,15H2,1-7H3/b16-14-/t19-,20+,21-,22+,24-,25+,27-,28-,29+,30+/m1/s1
InChIKey FRHNNILIALBLSU-XIVSLCBISA-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)CCCCC)\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 B (CHEBI:67277) has role metabolite (CHEBI:25212)
Brialalepolide B (CHEBI:67277) is a hexanoate ester (CHEBI:87656)
Citation Waiting for Citations Type Source
21438584 PubMed citation Europe PMC
Last Modified
04 September 2015
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);