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CHEBI:5890 - Indaconitine

ChEBI IDCHEBI:5890
ChEBI NameIndaconitine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H47NO10
Net Charge0
Average Mass629.747
Monoisotopic Mass629.32000
SMILES[H][C@]12C[C@]3(O)[C@@H](OC)C[C@](OC(C)=O)([C@@H]4C5N(CC)C[C@]6(COC)[C@H](O)C[C@H](OC)[C@@]51[C@]6([H])[C@H]4OC)[C@@]2([H])[C@H]3OC(=O)c1ccccc1
InChIInChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28?,29-,31+,32+,33-,34+/m1/s1
InChIKeyPHDZNMWTZQPAEW-ZIVNFORMSA-N
ChEBI Ontology
Outgoing Relation(s)
Indaconitine (CHEBI:5890) is a diterpenoid (CHEBI:23849)
Synonym  Source
IndaconitineKEGG COMPOUND
Manual XrefsDatabases
C08691KEGG COMPOUND
C00001647KNApSAcK
Registry NumbersSources
CAS:4491-19-4KEGG COMPOUND