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CHEBI:8594 - Protoveratrine A

ChEBI IDCHEBI:8594
ChEBI NameProtoveratrine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H63NO14
Net Charge0
Average Mass793.948
Monoisotopic Mass793.42486
SMILES[H][C@@]12CN3C[C@@H](C)CC[C@@]3([H])[C@@](C)(O)[C@@]1([H])[C@@H](O)[C@H](OC(=O)[C@H](C)CC)[C@]1(O)[C@@]2([H])C[C@]23O[C@]4(O)[C@@H](OC(=O)[C@@](C)(O)CC)CC[C@@]2(C)[C@]4([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]31[H]
InChIInChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
InChIKeyHYTGGNIMZXFORS-MGYKWWNKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Protoveratrine A (CHEBI:8594) is a alkaloid (CHEBI:22315)
Synonym  Source
Protoveratrine AKEGG COMPOUND
Manual XrefsDatabases
C00002256KNApSAcK
C10815KEGG COMPOUND
Registry NumbersSources
CAS:143-57-7KEGG COMPOUND