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CHEBI:226903 - Scoparasin B

ChEBI IDCHEBI:226903
ChEBI NameScoparasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37NO9
Net Charge0
Average Mass543.613
Monoisotopic Mass543.24683
SMILESCOc1ccc(C[C@@H]2NC(=O)[C@@]34OC(=O)O/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@H](O)[C@](C)(O)[C@@H](C)[C@@H]24)cc1
InChIInChI=1S/C29H37NO9/c1-16-7-6-8-20-24(32)28(4,36)17(2)22-21(15-18-9-11-19(37-5)12-10-18)30-25(33)29(20,22)39-26(34)38-14-13-27(3,35)23(16)31/h6,8-14,16-17,20-22,24,32,35-36H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,28+,29+/m0/s1
InChIKeyYXSYADYLBHSOLA-PZOHNQLKSA-N
Species of MetaboliteComponentSourceComments
Eutypella (ncbitaxon:140192) - PubMed (16724861)
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 B (CHEBI:226903) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
(1S,5E,7R,9S,11E,13S,14S,15R,16S,17S,18S)-7,14,15-trihydroxy-18-[(4-methoxyphenyl)methyl]-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11-diene-3,8,20-trione
Manual XrefsDatabases
9817139ChemSpider