CHEBI:9042 - Saupirin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Saupirin
ChEBI ID CHEBI:9042
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H22O6
Net Charge 0
Average Mass 346.375
Monoisotopic Mass 346.14164
InChI InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2
InChIKey KHSCYOFDKADJDJ-UHFFFAOYSA-N
SMILES OCC(=C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12
ChEBI Ontology
Outgoing Saupirin (CHEBI:9042) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Saupirin KEGG COMPOUND
Manual Xrefs Databases
C00003366 KNApSAcK
C09547 KEGG COMPOUND
HMDB0036423 HMDB
View more database links
Registry Number Type Source
35932-39-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014