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CHEBI:220560 - Gibbestatin B

ChEBI IDCHEBI:220560
ChEBI NameGibbestatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCO[C@@H](C)[C@H](/C=C/C=C/c1cccc(O)c1C(=O)O)C(=O)/C(C)=C/C1OC1C
InChIInChI=1S/C22H26O6/c1-13(12-19-15(3)28-19)21(24)17(14(2)27-4)10-6-5-8-16-9-7-11-18(23)20(16)22(25)26/h5-12,14-15,17,19,23H,1-4H3,(H,25,26)/b8-5+,10-6+,13-12+/t14-,15?,17-,19?/m0/s1
InChIKeyWNSZZRDXVFFVPW-IDOQMONCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies C39 (ncbitaxon:295100) - PubMed (10604763)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Gibbestatin B (CHEBI:220560) has functional parent salicylic acid (CHEBI:16914)
Gibbestatin B (CHEBI:220560) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
2-hydroxy-6-[(1E,3E,5S,7E)-5-[(1S)-1-methoxyethyl]-7-methyl-8-(3-methyloxiran-2-yl)-6-oxoocta-1,3,7-trienyl]benzoic acid
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78438743ChemSpider