EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:754 - 14-Deacetylnudicauline

ChEBI IDCHEBI:754
ChEBI Name14-Deacetylnudicauline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H48N2O10
Net Charge0
Average Mass668.784
Monoisotopic Mass668.33090
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(=O)c5ccccc5N5C(=O)C[C@H](C)C5=O)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32?,33-,34+,35-,36+/m0/s1
InChIKeyGFWYSOWSJXKFFQ-ITNXDDNLSA-N
ChEBI Ontology
Outgoing Relation(s)
14-Deacetylnudicauline (CHEBI:754) is a diterpenoid (CHEBI:23849)
Synonym  Source
14-DeacetylnudicaulineKEGG COMPOUND
Manual XrefsDatabases
C08673KEGG COMPOUND
C00001629KNApSAcK
Registry NumbersSources
CAS:119347-24-9KEGG COMPOUND