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CHEBI:8595 - Protoveratrine B

ChEBI IDCHEBI:8595
ChEBI NameProtoveratrine B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC41H63NO15
Net Charge0
Average Mass809.947
Monoisotopic Mass809.41977
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)[C@@H](C)O)CC[C@@]2(C)[C@]4([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]31[H]
InChIInChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
InChIKeyBFLXOMFFVWQPAZ-WLZWUCNJSA-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 B (CHEBI:8595) is a alkaloid (CHEBI:22315)
Synonym  Source
Protoveratrine BKEGG COMPOUND
Manual XrefsDatabases
C00002257KNApSAcK
C10816KEGG COMPOUND
Registry NumbersSources
CAS:124-97-0KEGG COMPOUND