CHEBI:7910 - paniculatin

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ChEBI Name paniculatin
ChEBI ID CHEBI:7910
Definition A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4' and β-D-glucopyranosyl residues at positions 6 and 8 via C-glycosidic linkages.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H30O15
Net Charge 0
Average Mass 594.51810
InChI InChI=1S/C27H30O15/c28-5-11-17(32)21(36)23(38)26(41-11)14-19(34)13-16(31)10(8-1-3-9(30)4-2-8)7-40-25(13)15(20(14)35)27-24(39)22(37)18(33)12(6-29)42-27/h1-4,7,11-12,17-18,21-24,26-30,32-39H,5-6H2/t11-,12-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
InChIKey ISNRVVKKHPECQN-BOLWDHOCSA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing paniculatin (CHEBI:7910) has functional parent isoflavone (CHEBI:18220)
paniculatin (CHEBI:7910) has role plant metabolite (CHEBI:76924)
paniculatin (CHEBI:7910) is a C-glycosyl compound (CHEBI:20857)
paniculatin (CHEBI:7910) is a hydroxyisoflavone (CHEBI:38755)
Manual Xrefs Databases
C00002557 KNApSAcK
C10513 KEGG COMPOUND
LMPK12050162 LIPID MAPS
View more database links
Registry Numbers Types Sources
32361-88-9 CAS Registry Number KEGG COMPOUND
32361-88-9 CAS Registry Number ChemIDplus
5210257 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
5799769 PubMed citation Europe PMC
Last Modified
24 June 2015