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CHEBI:222240 - Madindoline A

ChEBI IDCHEBI:222240
ChEBI NameMadindoline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO4
Net Charge0
Average Mass369.461
Monoisotopic Mass369.19401
SMILESCCCCC1=C(C)C(=O)[C@@](C)(CN2c3ccccc3[C@]3(O)CCO[C@H]23)C1=O
InChIInChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3/t20-,21+,22+/m0/s1
InChIKeyXPVQXXLKOCZMGG-BHDDXSALSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9510918)
ChEBI Ontology
Outgoing Relation(s)
Madindoline A (CHEBI:222240) is a indoles (CHEBI:24828)
IUPAC Name 
(2R)-2-[[(3aS,8bR)-8b-hydroxy-2,3a-dihydro-1H-uro[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione
Manual XrefsDatabases
7986281ChemSpider