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CHEBI:205450 - Musacin B1/B2

Default Structure
ChEBI IDCHEBI:205450
ChEBI NameMusacin B1/B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O7
Net Charge0
Average Mass286.280
Monoisotopic Mass286.10525
SMILESC/C=C/C(O)C(O)/C=C/C(=O)OCC1COC(=O)C1O
InChIInChI=1S/C13H18O7/c1-2-3-9(14)10(15)4-5-11(16)19-6-8-7-20-13(18)12(8)17/h2-5,8-10,12,14-15,17H,6-7H2,1H3/b3-2+,5-4+
InChIKeyJHQCSIROSIRYBV-MQQKCMAXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8682720)
ChEBI Ontology
Outgoing Relation(s)
Musacin B1/B2 (CHEBI:205450) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(4-hydroxy-5-oxooxolan-3-yl)methyl (2E,6E)-4,5-dihydroxyocta-2,6-dienoate
Manual XrefsDatabases
8692699ChemSpider