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CHEBI:68737 - chaetoglobosin R

ChEBI IDCHEBI:68737
ChEBI Namechaetoglobosin R
Stars
DefinitionA cytochalasan alkaloid found in Chaetomium globosum.( Compound class : cytochalasan alkaloid)
Last Modified6 February 2018
DownloadsMolfile
FormulaC32H38N2O6
Net Charge0
Average Mass546.664
Monoisotopic Mass546.27299
SMILES[H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)/C=C/C(=O)[C@H](O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@H](O)[C@@](C)(O)[C@H]2C
InChIInChI=1S/C32H38N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37-38,40H,8,15H2,1-4H3,(H,34,39)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31-,32+/m0/s1
InChIKeyGXXPQGPTEVHUTJ-NOQRJRBPSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (15497948)
Roles Classification
Biological Roles:
Chaetomium metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
chaetoglobosin R (CHEBI:68737) has role Chaetomium metabolite (CHEBI:76960)
chaetoglobosin R (CHEBI:68737) is a cytochalasan alkaloid (CHEBI:75946)
chaetoglobosin R (CHEBI:68737) is a indoles (CHEBI:24828)
chaetoglobosin R (CHEBI:68737) is a macrocycle (CHEBI:51026)
chaetoglobosin R (CHEBI:68737) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(3S,3aR,4S,5S,6S,6aR,7E,10S,11E,13R,15E,17aR)-5,6,13-trihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione
Manual XrefsDatabases
9367106ChemSpider
Registry NumbersSources
Reaxys:10509030Reaxys
Citations