EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2759 - Anthranoyllycoctonine

Default Structure
ChEBI IDCHEBI:2759
ChEBI NameAnthranoyllycoctonine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H46N2O8
Net Charge0
Average Mass586.726
Monoisotopic Mass586.32542
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC(=O)c5ccccc5N)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28?,29+,30-,31+,32-/m1/s1
InChIKeyNNDHDYDFEDRMGH-CAEIVAEBSA-N
ChEBI Ontology
Outgoing Relation(s)
Anthranoyllycoctonine (CHEBI:2759) is a diterpenoid (CHEBI:23849)
Synonyms  Source
AnthranoyllycoctonineKEGG COMPOUND
InulineKEGG COMPOUND
Manual XrefsDatabases
C00001615KNApSAcK
C08659KEGG COMPOUND
Registry NumbersSources
CAS:22413-78-1KEGG COMPOUND