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CHEBI:208625 - 21-O-deacetyl-L-696474

ChEBI IDCHEBI:208625
ChEBI Name21-O-deacetyl-L-696474
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO3
Net Charge0
Average Mass435.608
Monoisotopic Mass435.27734
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C\[C@@H](C)C[C@@H](C)C/C=C\[C@H]3[C@@H]1O
InChIInChI=1S/C28H37NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-14,17-19,22-26,30-31H,4,9,15-16H2,1-3H3,(H,29,32)/b12-8-,14-13-/t17-,18+,19+,22-,23-,24+,25-,26+,28+/m0/s1
InChIKeyCZWPJPMFISENGB-HKYAKYBVSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1002/ejoc.200500265)
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)
21-O-deacetyl-L-696474 (CHEBI:208625) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
(1R,2R,3Z,5S,7S,9Z,11R,12S,14S,15R,16S)-16-benzyl-2,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
Manual XrefsDatabases
78442696ChemSpider