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CHEBI:9417 - Taxine A

ChEBI IDCHEBI:9417
ChEBI NameTaxine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H47NO10
Net Charge0
Average Mass641.758
Monoisotopic Mass641.32000
SMILES[H][C@]12C[C@H](OC(C)=O)C(C)=C([C@@H](O)C(=O)[C@@]3(C)C/C(=C\[C@@H]1OC(C)=O)[C@@H](OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C)C[C@@H]3O)C2(C)C
InChIInChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1
InChIKeyKOTXAHKUCAQPQA-MCBQMXOVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Taxine A (CHEBI:9417) is a amine (CHEBI:32952)
Synonym  Source
Taxine AKEGG COMPOUND
Manual XrefsDatabases
C10619KEGG COMPOUND
C00002364KNApSAcK
Registry NumbersSources
CAS:1361-49-5KEGG COMPOUND