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CHEBI:5535 - Grandisin

ChEBI IDCHEBI:5535
ChEBI NameGrandisin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILESCOc1cc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1OC
InChIInChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3/t13-,14-,21-,22-/m0/s1
InChIKeyZPINJJOPURFFNV-WJWAULOUSA-N
ChEBI Ontology
Outgoing Relation(s)
Grandisin (CHEBI:5535) is a lignan (CHEBI:25036)
Synonym  Source
GrandisinKEGG COMPOUND
Manual XrefsDatabases
C10622KEGG COMPOUND
C00002607KNApSAcK
Registry NumbersSources
CAS:53250-50-3KEGG COMPOUND