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CHEBI:211736 - Daldinin

ChEBI IDCHEBI:211736
ChEBI NameDaldinin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H41NO6
Net Charge0
Average Mass523.670
Monoisotopic Mass523.29339
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)C[C@@H](OC)[C@@](C)(OC(C)=O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C31H41NO6/c1-18-11-10-14-23-28(35)20(3)19(2)27-24(15-22-12-8-7-9-13-22)32-29(36)31(23,27)25(34)16-26(37-6)30(5,17-18)38-21(4)33/h7-10,12-14,18-19,23-24,26-28,35H,3,11,15-17H2,1-2,4-6H3,(H,32,36)/b14-10+/t18-,19+,23-,24-,26+,27-,28+,30-,31+/m0/s1
InChIKeyPOXWDDFZAWCGIG-CHZWMTGQSA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - DOI (10.1177/1934578X19846320)
Roles Classification
Biological Roles:
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)
Daldinin (CHEBI:211736) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
[(1R,4R,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-12-hydroxy-4-methoxy-5,7,14-trimethyl-13-methylidene-2,18-dioxo-17-azatricyclo[9.7.0.01,15]octadec-9-en-5-yl] acetate