CHEBI:197929 - Indoxamycin F

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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 F
ChEBI ID CHEBI:197929
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/c1-8-12(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
InChIKey KGHZJTNBQYMYSR-KIMKDBTQSA-N
SMILES O=C(O)/C=C/[C@@]1([C@H](O)C(=C)[C@@H]2O[C@@H]([C@]3([C@@]2([C@@H]1C(=C3)C)C)C)/C(=C\C)/C)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
27024350 ChemSpider
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