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CHEBI:3471 - Catheduline E2

ChEBI IDCHEBI:3471
ChEBI NameCatheduline E2
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H40N2O11
Net Charge0
Average Mass700.741
Monoisotopic Mass700.26321
SMILESCC(=O)O[C@H]1C[C@@H](C)[C@@]23C[C@@H]([C@@H](OC(=O)c4cccnc4)[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2cccnc2)[C@H]1OC(C)=O)C(C)(C)O3
InChIInChI=1S/C38H40N2O11/c1-22-17-29(47-23(2)41)31(48-24(3)42)37(21-46-33(43)26-13-9-15-39-19-26)32(50-34(44)25-11-7-6-8-12-25)30(28-18-38(22,37)51-36(28,4)5)49-35(45)27-14-10-16-40-20-27/h6-16,19-20,22,28-32H,17-18,21H2,1-5H3/t22-,28+,29+,30-,31+,32+,37+,38+/m1/s1
InChIKeyJNJVNIAUYUVQJX-VIUWVPTDSA-N
ChEBI Ontology
Outgoing Relation(s)
Catheduline E2 (CHEBI:3471) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
Catheduline E2KEGG COMPOUND
Manual XrefsDatabases
C09935KEGG COMPOUND
C00001967KNApSAcK
Registry NumbersSources
CAS:61231-06-9KEGG COMPOUND