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CHEBI:223774 - Indoxamycin B

ChEBI IDCHEBI:223774
ChEBI NameIndoxamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESC/C=C(/C)[C@H]1O[C@H]2C(C)=C[C@](/C=C/C(=O)O)(CO)[C@H]3C(C)=C[C@]1(C)[C@@]23C
InChIInChI=1S/C22H30O4/c1-7-13(2)18-20(5)10-14(3)17-21(20,6)19(26-18)15(4)11-22(17,12-23)9-8-16(24)25/h7-11,17-19,23H,12H2,1-6H3,(H,24,25)/b9-8+,13-7-/t17-,18+,19-,20-,21+,22+/m0/s1
InChIKeyJBEJQFQKKHSILD-FXRSQJOKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (19572603)
ChEBI Ontology
Outgoing Relation(s)
Indoxamycin B (CHEBI:223774) is a oxolanes (CHEBI:26912)
IUPAC Name 
(E)-3-[(1S,3R,4R,7R,8S,11S)-3-[(Z)-but-2-en-2-yl]-8-(hydroxymethyl)-4,6,10,11-tetramethyl-2-oxatricyclo[5.3.1.04,11]undeca-5,9-dien-8-yl]prop-2-enoic acid
Manual XrefsDatabases
27024346ChemSpider