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CHEBI:212972 - Scoparasin D

ChEBI IDCHEBI:212972
ChEBI NameScoparasin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35NO8
Net Charge0
Average Mass525.598
Monoisotopic Mass525.23627
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccc(OC)cc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C29H35NO8/c1-16-7-6-8-21-24(31)18(3)17(2)23-22(15-19-9-11-20(36-5)12-10-19)30-26(33)29(21,23)38-27(34)37-14-13-28(4,35)25(16)32/h6,8-14,16-17,21-24,31,35H,3,7,15H2,1-2,4-5H3,(H,30,33)/b8-6+,14-13+/t16-,17+,21-,22-,23-,24+,28+,29+/m0/s1
InChIKeyATSIWMYHXZOFEE-ZALRWKSGSA-N
Species of MetaboliteComponentSourceComments
Peroneutypa scoparia (ncbitaxon:1736665) - DOI (10.1177/1934578x1501001203)
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)
Scoparasin D (CHEBI:212972) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
(1S,5E,7R,9S,11E,13S,14S,16S,17S,18S)-7,14-dihydroxy-18-[(4-methoxyphenyl)methyl]-7,9,16-trimethyl-15-methylidene-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione
Manual XrefsDatabases
58196581ChemSpider