CHEBI:4381 - Delcosine

ChEBI IDCHEBI:4381
ChEBI NameDelcosine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H39NO7
Net Charge0
Average Mass453.576
Monoisotopic Mass453.27265
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC)CC[C@H](O)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20?,21+,22-,23+,24-/m1/s1
InChIKeyBMZNJVXOLCBDPZ-AXCJZLSHSA-N
ChEBI Ontology
Outgoing Relation(s)
Delcosine (CHEBI:4381) is a diterpenoid (CHEBI:23849)
Synonym  Source
DelcosineKEGG COMPOUND
Manual XrefsDatabases
C08676KEGG COMPOUND
C00001632KNApSAcK
Registry NumbersSources
CAS:545-56-2KEGG COMPOUND