CHEBI:211704 - Indoxamycin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Indoxamycin A
ChEBI ID CHEBI:211704
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O3
Net Charge 0
Average Mass 342.479
Monoisotopic Mass 342.21949
InChI InChI=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
InChIKey GNTZLKVQQONGDC-KVCWVVKNSA-N
SMILES O=C(O)/C=C/[C@@]1(C=C([C@@H]2O[C@@H]([C@]3([C@@]2([C@@H]1C(=C3)C)C)C)/C(=C\C)/C)C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
27024345 ChemSpider
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