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CHEBI:202767 - Indoxamycin D

ChEBI IDCHEBI:202767
ChEBI NameIndoxamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESC/C=C(/CO)[C@H]1O[C@H]2C(C)=C[C@@](C)(/C=C/C(=O)O)[C@H]3C(C)=C[C@]1(C)[C@@]23C
InChIInChI=1S/C22H30O4/c1-7-15(12-23)19-21(5)11-13(2)17-20(4,9-8-16(24)25)10-14(3)18(26-19)22(17,21)6/h7-11,17-19,23H,12H2,1-6H3,(H,24,25)/b9-8+,15-7-/t17-,18+,19-,20-,21+,22-/m1/s1
InChIKeyTUUPJUMTPYTGPG-WMDVRRGISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (19572603)
ChEBI Ontology
Outgoing Relation(s)
Indoxamycin D (CHEBI:202767) is a oxolanes (CHEBI:26912)
IUPAC Name 
(E)-3-[(1S,3S,4R,7R,8R,11S)-3-[(Z)-1-hydroxybut-2-en-2-yl]-4,6,8,10,11-pentamethyl-2-oxatricyclo[5.3.1.04,11]undeca-5,9-dien-8-yl]prop-2-enoic acid
Manual XrefsDatabases
27024348ChemSpider