CHEBI:5061 - Finaconitine

ChEBI IDCHEBI:5061
ChEBI NameFinaconitine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H46N2O10
Net Charge0
Average Mass630.735
Monoisotopic Mass630.31525
SMILES[H][C@]12C[C@]3(O)[C@](O)([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@@]1(O)C[C@]2([H])[C@@]4(COC(=O)c5ccccc5NC(C)=O)CC[C@H](OC)[C@]23C1N(CC)C4
InChIInChI=1S/C33H46N2O10/c1-6-35-16-28(17-45-26(37)19-9-7-8-10-21(19)34-18(2)36)12-11-24(43-4)32-23(28)15-29(38,27(32)35)30(39)14-22(42-3)20-13-31(32,40)33(30,41)25(20)44-5/h7-10,20,22-25,27,38-41H,6,11-17H2,1-5H3,(H,34,36)/t20-,22+,23-,24+,25+,27?,28+,29-,30+,31-,32+,33+/m1/s1
InChIKeyIUJWSEFNAUXHTB-PEOOALOTSA-N
ChEBI Ontology
Outgoing Relation(s)
Finaconitine (CHEBI:5061) is a diterpenoid (CHEBI:23849)
Synonym  Source
FinaconitineKEGG COMPOUND
Manual XrefsDatabases
C00001640KNApSAcK
C08684KEGG COMPOUND
Registry NumbersSources
CAS:81161-27-5KEGG COMPOUND