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CHEBI:208920 - JBIR-23

ChEBI IDCHEBI:208920
ChEBI NameJBIR-23
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O7
Net Charge0
Average Mass402.443
Monoisotopic Mass402.16785
SMILESCOC(=C\C(C)=C\[C@@H]1CCC[C@]2(OC)O[C@@H]3C(=CC(=O)[C@@H]4O[C@H]34)[C@@H]12)/C=C/C(=O)O
InChIInChI=1S/C22H26O7/c1-12(10-14(26-2)6-7-17(24)25)9-13-5-4-8-22(27-3)18(13)15-11-16(23)20-21(28-20)19(15)29-22/h6-7,9-11,13,18-21H,4-5,8H2,1-3H3,(H,24,25)/b7-6+,12-9+,14-10-/t13-,18+,19+,20-,21+,22-/m0/s1
InChIKeyRQKNJGYAIPVGDR-PSBBDQSUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19086885)
ChEBI Ontology
Outgoing Relation(s)
JBIR-23 (CHEBI:208920) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E,4Z,6E)-4-methoxy-7-[(2R,3S,7S,9R,10R,12R)-7-methoxy-13-oxo-8,11-dioxatetracyclo[7.5.0.02,7.010,12]tetradec-1(14)-en-3-yl]-6-methylhepta-2,4,6-trienoic acid
Manual XrefsDatabases
28285968ChemSpider