CHEBI:203906 - Madindoline A/B

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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 Madindoline A/B
ChEBI ID CHEBI:203906
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H29NO4
Net Charge 0
Average Mass 371.477
Monoisotopic Mass 371.20966
InChI InChI=1S/C22H29NO4/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/h6-7,9-10,14-15,20,26H,4-5,8,11-13H2,1-3H3
InChIKey YJLIDBBCWAQBOC-UHFFFAOYSA-N
SMILES O=C1C(C(=O)C(C1CCCC)C)(CN2C3=C(C=CC=C3)C4(C2OCC4)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Madindoline A/B (CHEBI:203906) is a indoles (CHEBI:24828)
IUPAC Name
2-[(8b-hydroxy-2,3a-dihydro-1H-uro[2,3-b]indol-4-yl)methyl]-4-butyl-2,5-dimethylcyclopentane-1,3-dione
Manual Xref Database
8039920 ChemSpider
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