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CHEBI:197929 - Indoxamycin F

ChEBI IDCHEBI:197929
ChEBI NameIndoxamycin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESC=C1[C@@H](O)[C@@](C)(/C=C/C(=O)O)[C@H]2C(C)=C[C@@]3(C)[C@@H](/C(C)=C\C)O[C@@H]1[C@@]23C
InChIInChI=1S/C22H30O4/c1-8-12(2)18-21(6)11-13(3)16-20(5,10-9-15(23)24)17(25)14(4)19(26-18)22(16,21)7/h8-11,16-19,25H,4H2,1-3,5-7H3,(H,23,24)/b10-9+,12-8-/t16-,17-,18-,19+,20+,21+,22-/m1/s1
InChIKeyKGHZJTNBQYMYSR-KIMKDBTQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (19572603)
ChEBI Ontology
Outgoing Relation(s)
Indoxamycin F (CHEBI:197929) is a oxolanes (CHEBI:26912)
IUPAC Name 
(E)-3-[(1R,3R,4R,7R,8S,9S,11S)-3-[(Z)-but-2-en-2-yl]-9-hydroxy-4,6,8,11-tetramethyl-10-methylidene-2-oxatricyclo[5.3.1.04,11]undec-5-en-8-yl]prop-2-enoic acid
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