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CHEBI:211704 - Indoxamycin A

ChEBI IDCHEBI:211704
ChEBI NameIndoxamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESC/C=C(/C)[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/C22H30O3/c1-8-13(2)18-21(6)12-14(3)17-20(5,10-9-16(23)24)11-15(4)19(25-18)22(17,21)7/h8-12,17-19H,1-7H3,(H,23,24)/b10-9+,13-8-/t17-,18-,19+,20-,21+,22-/m1/s1
InChIKeyGNTZLKVQQONGDC-KVCWVVKNSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (19572603)
ChEBI Ontology
Outgoing Relation(s)
Indoxamycin A (CHEBI:211704) is a oxolanes (CHEBI:26912)
IUPAC Name 
(E)-3-[(1S,3R,4R,7R,8R,11S)-3-[(Z)-but-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
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