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CHEBI:7937 - Parsonsine

ChEBI IDCHEBI:7937
ChEBI NameParsonsine
Stars
Last Modified2 December 2019
DownloadsMolfile
FormulaC22H33NO8
Net Charge0
Average Mass439.505
Monoisotopic Mass439.22062
SMILES[H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@](O)(C(C)C)CC(=O)O[C@H](C)[C@@](O)(C(C)C)C(=O)OC3
InChIInChI=1S/C22H33NO8/c1-12(2)21(27)10-17(24)30-14(5)22(28,13(3)4)20(26)29-11-15-6-8-23-9-7-16(18(15)23)31-19(21)25/h6,12-14,16,18,27-28H,7-11H2,1-5H3/t14-,16-,18-,21+,22+/m1/s1
InChIKeyMPPSDVYCCOJJIB-QCNRXRGQSA-N
ChEBI Ontology
Outgoing Relation(s)
Parsonsine (CHEBI:7937) is a macrotriolide (CHEBI:145559)
Synonym  Source
ParsonsineKEGG COMPOUND
Manual XrefsDatabases
C10357KEGG COMPOUND
C00002104KNApSAcK
Registry NumbersSources
CAS:72213-98-0KEGG COMPOUND