CHEBI:5535 - Grandisin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Grandisin
ChEBI ID CHEBI:5535
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H32O7
Net Charge 0
Average Mass 432.508
Monoisotopic Mass 432.21480
InChI InChI=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
InChIKey ZPINJJOPURFFNV-WJWAULOUSA-N
SMILES COc1cc(cc(OC)c1OC)[C@H]1O[C@@H]([C@@H](C)[C@@H]1C)c1cc(OC)c(OC)c(OC)c1
ChEBI Ontology
Outgoing Grandisin (CHEBI:5535) is a lignan (CHEBI:25036)
Synonym Source
Grandisin KEGG COMPOUND
Manual Xrefs Databases
C00002607 KNApSAcK
C10622 KEGG COMPOUND
View more database links
Registry Number Type Source
53250-50-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014