CHEBI:66907 - bracteatin 6-O-β-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bracteatin 6-O-β-glucoside
ChEBI ID CHEBI:66907
ChEBI ASCII Name bracteatin 6-O-beta-glucoside
Definition A β-D-glucoside in which a β-D-glucopyranosyl residue is attached at position 6 of bracteatin via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C21H20O12
Net Charge 0
Average Mass 464.37630
Monoisotopic Mass 464.09548
InChI InChI=1S/C21H20O12/c22-6-14-18(28)19(29)20(30)21(33-14)31-8-4-9(23)15-12(5-8)32-13(17(15)27)3-7-1-10(24)16(26)11(25)2-7/h1-5,14,18-26,28-30H,6H2/t14-,18-,19+,20-,21-/m1/s1
InChIKey SFXSFWVZPKEDPA-LNCSSOGTSA-N
SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(Oc3c2)=Cc2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing bracteatin 6-O-β-glucoside (CHEBI:66907) has functional parent bracteatin (CHEBI:3163)
bracteatin 6-O-β-glucoside (CHEBI:66907) is a β-D-glucoside (CHEBI:22798)
IUPAC Name
4-hydroxy-3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl β-D-glucopyranoside
Synonyms Sources
bracteatin 6-O-β-D-glucoside ChEBI
bracteatin 6-O-β-glucoside UniProt
Manual Xrefs Databases
C00008060 KNApSAcK
C16410 KEGG COMPOUND
CPD-8635 MetaCyc
LMPK12130043 LIPID MAPS
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Citation Waiting for Citations Type Source
16832053 PubMed citation SUBMITTER
Last Modified
04 August 2014