CHEBI:4402 - Denudatine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Denudatine
ChEBI ID CHEBI:4402
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H33NO2
Net Charge 0
Average Mass 343.504
Monoisotopic Mass 343.25113
InChI InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14?,15-,16+,17-,18-,19-,20+,21+,22+/m1/s1
InChIKey OVXLNQAYPUEDSI-CNEDWAKUSA-N
SMILES CCN1C[C@]2(C)CCC[C@]34[C@H]1C(C[C@H]23)[C@@]12CC[C@@H]([C@H](O)[C@@H]41)C(=C)[C@H]2O
ChEBI Ontology
Outgoing Denudatine (CHEBI:4402) has parent hydride atisane (CHEBI:36471)
Denudatine (CHEBI:4402) is a diterpenoid (CHEBI:23849)
Synonym Source
Denudatine KEGG COMPOUND
Manual Xrefs Databases
C00001636 KNApSAcK
C00028165 KNApSAcK
C08680 KEGG COMPOUND
View more database links
Registry Number Type Source
26166-37-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014