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CHEBI:225666 - Indoxamycin C

ChEBI IDCHEBI:225666
ChEBI NameIndoxamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESC/C=C(/C)[C@H]1O[C@H]2C(CO)=C[C@@](C)(/C=C/C(=O)O)[C@H]3C(C)=C[C@]1(C)[C@@]23C
InChIInChI=1S/C22H30O4/c1-7-13(2)18-21(5)10-14(3)17-20(4,9-8-16(24)25)11-15(12-23)19(26-18)22(17,21)6/h7-11,17-19,23H,12H2,1-6H3,(H,24,25)/b9-8+,13-7-/t17-,18-,19+,20-,21+,22-/m1/s1
InChIKeyZEQFTKODFDOLED-MYFVQVSPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (19572603)
ChEBI Ontology
Outgoing Relation(s)
Indoxamycin C (CHEBI:225666) is a oxolanes (CHEBI:26912)
IUPAC Name 
(E)-3-[(1R,3R,4R,7R,8R,11S)-3-[(Z)-but-2-en-2-yl]-10-(hydroxymethyl)-4,6,8,11-tetramethyl-2-oxatricyclo[5.3.1.04,11]undeca-5,9-dien-8-yl]prop-2-enoic acid
Manual XrefsDatabases
27024347ChemSpider