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CHEBI:7906 - Pancratistatin

ChEBI IDCHEBI:7906
ChEBI NamePancratistatin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H15NO8
Net Charge0
Average Mass325.273
Monoisotopic Mass325.07977
SMILES[H][C@@]12NC(=O)c3c(cc4c(c3O)OCO4)[C@@]1([H])[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O
InChIInChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1
InChIKeyVREZDOWOLGNDPW-ALTGWBOUSA-N
ChEBI Ontology
Outgoing Relation(s)
Pancratistatin (CHEBI:7906) is a citraconoyl group (CHEBI:23315)
Synonym  Source
PancratistatinKEGG COMPOUND
Manual XrefsDatabases
C08535KEGG COMPOUND
C00001579KNApSAcK
Registry NumbersSources
CAS:96203-70-2KEGG COMPOUND