CHEBI:5534 - Grandidentatin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Grandidentatin
ChEBI ID CHEBI:5534
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C21H28O9
C21H28O9
Net Charge 0
Average Mass 424.442
Monoisotopic Mass 424.17333
InChI InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15+,16+,18+,19-,20+,21+/m0/s1
InChIKey ZTMPDTJBTNGZJH-QMZLQNRASA-N
SMILES C(=C/C(O[C@@H]1[C@@H](O)[C@@H]([C@H](O[C@H]1O[C@@H]2CCCC[C@@H]2O)CO)O)=O)\C3=CC=C(C=C3)O
ChEBI Ontology
Outgoing Grandidentatin (CHEBI:5534) is a cinnamate ester (CHEBI:36087)
Synonym Source
Grandidentatin KEGG COMPOUND
Manual Xrefs Databases
C00002749 KNApSAcK
C10463 KEGG COMPOUND
View more database links
Registry Number Type Source
15732-48-6 CAS Registry Number KEGG COMPOUND
Last Modified
22 June 2017