CHEBI:225666 - Indoxamycin C

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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 C
ChEBI ID CHEBI:225666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.478
Monoisotopic Mass 358.21441
InChI InChI=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
InChIKey ZEQFTKODFDOLED-MYFVQVSPSA-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)CO)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
27024347 ChemSpider
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