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CHEBI:211135 - Glabramycin B

ChEBI IDCHEBI:211135
ChEBI NameGlabramycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCC1CCCC[C@H]2C(=O)CC[C@H]3OC(/C=C/C=C/C=C/C(=O)O)=C(C(=O)O1)[C@@H]32
InChIInChI=1S/C22H26O6/c1-14-8-6-7-9-15-16(23)12-13-18-20(15)21(22(26)27-14)17(28-18)10-4-2-3-5-11-19(24)25/h2-5,10-11,14-15,18,20H,6-9,12-13H2,1H3,(H,24,25)/b3-2+,10-4+,11-5+/t14?,15-,18+,20+/m0/s1
InChIKeyFXWZJHIHNQQRDJ-XGCDNSQESA-N
Species of MetaboliteComponentSourceComments
Aspergillus neoglaber (ncbitaxon:41049) - PubMed (19343064)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Glabramycin B (CHEBI:211135) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E,6E)-7-[(1R,12R,16S)-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadec-9-en-10-yl]hepta-2,4,6-trienoic acid
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34552224ChemSpider