CHEBI:3852 - Condelphine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Condelphine
ChEBI ID CHEBI:3852
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H39NO6
Net Charge 0
Average Mass 449.581
Monoisotopic Mass 449.27774
InChI InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22?,23+,24+,25-/m1/s1
InChIKey ZEBMMHUDQRRILP-WZSMAATHSA-N
SMILES CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)C14
ChEBI Ontology
Outgoing Condelphine (CHEBI:3852) is a diterpenoid (CHEBI:23849)
Synonym Source
Condelphine KEGG COMPOUND
Manual Xrefs Databases
C00001627 KNApSAcK
C08671 KEGG COMPOUND
View more database links
Registry Number Type Source
7633-69-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014