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CHEBI:206210 - Chaetomadrasin B

ChEBI IDCHEBI:206210
ChEBI NameChaetomadrasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N2O7
Net Charge0
Average Mass560.647
Monoisotopic Mass560.25225
SMILESCC1=C(O)C(=O)[C@@H]2CC(=O)[C@@]34C(=O)N[C@@H](C[C@]5(O)C(=O)Nc6ccccc65)[C@@H]3C(C)=C(C)[C@@H](O)[C@@H]4C=CC[C@H](C)[C@@H]12
InChIInChI=1S/C32H36N2O7/c1-14-8-7-10-20-26(36)16(3)15(2)25-22(13-31(41)19-9-5-6-11-21(19)33-29(31)39)34-30(40)32(20,25)23(35)12-18-24(14)17(4)27(37)28(18)38/h5-7,9-11,14,18,20,22,24-26,36-37,41H,8,12-13H2,1-4H3,(H,33,39)(H,34,40)/t14-,18+,20-,22-,24-,25-,26+,31+,32+/m0/s1
InChIKeyAWCUWQLWAVHFHH-VZPCDREDSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (31492021)
ChEBI Ontology
Outgoing Relation(s)
Chaetomadrasin B (CHEBI:206210) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,4R,8R,9S,13R,14S,17R,18S)-6,14-dihydroxy-18-[[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]methyl]-7,9,15,16-tetramethyl-19-azatetracyclo[11.7.0.01,17.04,8]icosa-6,11,15-triene-2,5,20-trione