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CHEBI:4970 - Falaconitine

ChEBI IDCHEBI:4970
ChEBI NameFalaconitine
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([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)c1ccc(OC)c(OC)c1
InChIInChI=1S/C34H47NO10/c1-8-35-15-32(16-39-2)22(36)13-24(43-6)34-19-14-33(38)23(42-5)12-18(26(29(34)35)27(44-7)28(32)34)25(19)30(33)45-31(37)17-9-10-20(40-3)21(11-17)41-4/h9-12,19,22-30,36,38H,8,13-16H2,1-7H3/t19-,22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34+/m1/s1
InChIKeyAWCSAXLOUNZFKK-TUCMIPCLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Falaconitine (CHEBI:4970) is a methoxybenzoic acid (CHEBI:25238)
Synonym  Source
FalaconitineKEGG COMPOUND
Manual XrefsDatabases
C08683KEGG COMPOUND
C00001639KNApSAcK
Registry NumbersSources
CAS:62926-57-2KEGG COMPOUND