CHEBI:7937 - Parsonsine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Parsonsine
ChEBI ID CHEBI:7937
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H37NO7
Net Charge 0
Average Mass 439.500
Monoisotopic Mass 439.22062
InChI InChI=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
InChIKey MPPSDVYCCOJJIB-QCNRXRGQSA-N
SMILES CC(C)[C@@]1(O)CC(=O)O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing Parsonsine (CHEBI:7937) is a macrotriolide (CHEBI:145559)
Synonym Source
Parsonsine KEGG COMPOUND
Manual Xrefs Databases
C00002104 KNApSAcK
C10357 KEGG COMPOUND
View more database links
Registry Number Type Source
72213-98-0 CAS Registry Number KEGG COMPOUND
Last Modified
02 December 2019