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CHEBI:31434 - Coumermycin D

ChEBI IDCHEBI:31434
ChEBI NameCoumermycin D
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC43H49N3O18
Net Charge0
Average Mass895.868
Monoisotopic Mass895.30111
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cnc(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](O)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C43H49N3O18/c1-15-20(36(53)45-24-26(47)18-10-12-21(16(2)32(18)61-38(24)55)59-40-30(51)28(49)34(57-8)42(4,5)63-40)14-44-23(15)37(54)46-25-27(48)19-11-13-22(17(3)33(19)62-39(25)56)60-41-31(52)29(50)35(58-9)43(6,7)64-41/h10-14,28-31,34-35,40-41,44,47-52H,1-9H3,(H,45,53)(H,46,54)/t28-,29-,30+,31+,34+,35+,40+,41+/m0/s1
InChIKeyMDWKFXALIRELND-UYUGCTTCSA-N
ChEBI Ontology
Outgoing Relation(s)
Coumermycin D (CHEBI:31434) is a coumarins (CHEBI:23403)
Coumermycin D (CHEBI:31434) is a glycoside (CHEBI:24400)
Synonym  Source
Coumermycin DKEGG COMPOUND
Manual XrefsDatabases
C12480KEGG COMPOUND