CHEBI:3768 - Cnicin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cnicin
ChEBI ID CHEBI:3768
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H26O7
Net Charge 0
Average Mass 378.417
Monoisotopic Mass 378.16785
InChI InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1
InChIKey ZTDFZLVUIVPZDU-QGNHJMHWSA-N
SMILES C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@@H](O)CO
ChEBI Ontology
Outgoing Cnicin (CHEBI:3768) is a germacranolide (CHEBI:73011)
Synonym Source
Cnicin KEGG COMPOUND
Manual Xrefs Databases
C00003232 KNApSAcK
C09362 KEGG COMPOUND
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Registry Number Type Source
24394-09-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014