EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209786 - Indoxamycin E

ChEBI IDCHEBI:209786
ChEBI NameIndoxamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCC1=C[C@@](C)(/C=C/C(=O)O)[C@H]2C(C)=C[C@@]3(C)[C@@H](/C(C)=C\CO)O[C@@H]1[C@@]23C
InChIInChI=1S/C22H30O4/c1-13(8-10-23)18-21(5)12-14(2)17-20(4,9-7-16(24)25)11-15(3)19(26-18)22(17,21)6/h7-9,11-12,17-19,23H,10H2,1-6H3,(H,24,25)/b9-7+,13-8-/t17-,18-,19+,20-,21+,22-/m1/s1
InChIKeyHCHYEJZGKDRAGI-AVLGNFFCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (19572603)
ChEBI Ontology
Outgoing Relation(s)
Indoxamycin E (CHEBI:209786) is a oxolanes (CHEBI:26912)
IUPAC Name 
(E)-3-[(1S,3R,4R,7R,8R,11S)-3-[(Z)-4-hydroxybut-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 XrefsDatabases
27024349ChemSpider