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CHEBI:6918 - Mezerein

ChEBI IDCHEBI:6918
ChEBI NameMezerein
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H38O10
Net Charge0
Average Mass654.712
Monoisotopic Mass654.24650
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@H]3OC4(c5ccccc5)O[C@@]3(C(=C)C)[C@H](OC(=O)/C=C/C=C/c3ccccc3)[C@@H](C)[C@]21O4
InChIInChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38?/m1/s1
InChIKeyDLEDLHFNQDHEOJ-HBJWEEFJSA-N
ChEBI Ontology
Outgoing Relation(s)
Mezerein (CHEBI:6918) is a diterpenoid (CHEBI:23849)
Synonym  Source
MezereinKEGG COMPOUND
Manual XrefsDatabases
C09134KEGG COMPOUND
C00003454KNApSAcK
Registry NumbersSources
CAS:34807-41-5KEGG COMPOUND