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CHEBI:68697 - isochaetoglobosin D

ChEBI IDCHEBI:68697
ChEBI Nameisochaetoglobosin D
Stars
DefinitionA cytochalasan alkaloid found in Chaetomium globosum.
Last Modified29 October 2013
DownloadsMolfile
FormulaC32H36N2O5
Net Charge0
Average Mass528.649
Monoisotopic Mass528.26242
SMILES[H][C@]12[C@H](Cc3cnc4ccccc34)NC(=O)[C@]13C(=O)CCC(=O)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@H](O)C(=C)[C@H]2C
InChIInChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,19,23,25,28,30,33,38H,4,8,12-13,15H2,1-3H3,(H,34,39)/b10-7+,18-14+/t17-,19+,23-,25-,28-,30+,32+/m0/s1
InChIKeyPTPJKVDJLHYTML-XANHDBJGSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (12357398)
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)
isochaetoglobosin D (CHEBI:68697) has role Chaetomium metabolite (CHEBI:76960)
isochaetoglobosin D (CHEBI:68697) is a cytochalasan alkaloid (CHEBI:75946)
isochaetoglobosin D (CHEBI:68697) is a indoles (CHEBI:24828)
isochaetoglobosin D (CHEBI:68697) is a macrocycle (CHEBI:51026)
IUPAC Name 
(3S,3aR,4S,6S,6aR,7E,10S,11E,17aR)-6-hydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-3,3a,4,5,6,6a,9,10,15,16-decahydro-1H-cyclotrideca[d]isoindole-1,13,14,17(2H)-tetrone
Registry NumbersSources
Reaxys:5685367Reaxys
Citations