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CHEBI:4810 - Epivoacorine

ChEBI IDCHEBI:4810
ChEBI NameEpivoacorine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC43H52N4O6
Net Charge0
Average Mass720.911
Monoisotopic Mass720.38869
SMILES[H][C@]1(c2cc3nc4c(c3cc2OC)CC[N@@]2C[C@@H]3C[C@]4(C(=O)OC)[C@]2([H])[C@@]([H])([C@@H](C)O)C3)C[C@H]2/C(=C\C)CN(C)[C@H](Cc3c1nc1ccccc31)C2C(=O)OC
InChIInChI=1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3/b24-7-/t22-,23+,27-,28?,31-,35-,37?,40+,43-/m1/s1
InChIKeyUIEKMUULTFWIHX-ZCJJCGOHSA-N
ChEBI Ontology
Outgoing Relation(s)
Epivoacorine (CHEBI:4810) is a citraconoyl group (CHEBI:23315)
Synonym  Source
EpivoacorineKEGG COMPOUND
Manual XrefsDatabases
C09156KEGG COMPOUND
C00025729KNApSAcK
Registry NumbersSources
CAS:4835-65-8KEGG COMPOUND