CHEBI:4810 - Epivoacorine

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ChEBI Name Epivoacorine
ChEBI ID CHEBI:4810
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C43H52N4O6
Net Charge 0
Average Mass 720.898
Monoisotopic Mass 720.38869
InChI InChI=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
InChIKey UIEKMUULTFWIHX-ZCJJCGOHSA-N
SMILES COC(=O)C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](C[C@H]1\C(CN2C)=C/C)c1cc2[nH]c3c(CCN4C[C@H]5C[C@H]([C@@H](C)O)[C@H]4[C@]3(C5)C(=O)OC)c2cc1OC
ChEBI Ontology
Outgoing Epivoacorine (CHEBI:4810) is a citraconoyl group (CHEBI:23315)
Synonym Source
Epivoacorine KEGG COMPOUND
Manual Xrefs Databases
C00025729 KNApSAcK
C09156 KEGG COMPOUND
View more database links
Registry Number Type Source
4835-65-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014