CHEBI:81347 - polygonimitin B

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ChEBI Name polygonimitin B
ChEBI ID CHEBI:81347
Definition A xanthone glycoside that is 9H-xanthene substituted by a hydroxy group at position 3, methyl groups at positions 6 and 7, an oxo group at position 9 and a β-D-glucopyranosyloxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H22O9
Net Charge 0
Average Mass 418.39400
Monoisotopic Mass 418.12638
InChI InChI=1S/C21H22O9/c1-8-3-11-12(4-9(8)2)28-13-5-10(23)6-14(16(13)17(11)24)29-21-20(27)19(26)18(25)15(7-22)30-21/h3-6,15,18-23,25-27H,7H2,1-2H3/t15-,18-,19+,20-,21-/m1/s1
InChIKey WMAOOSUVFZELAH-CMWLGVBASA-N
SMILES Cc1cc2oc3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c(=O)c2cc1C
Metabolite of Species Details
Fallopia multiflora (NCBI:txid76025) Found in root (BTO:0001188). See: PubMed
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.
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ChEBI Ontology
Outgoing polygonimitin B (CHEBI:81347) has role plant metabolite (CHEBI:76924)
polygonimitin B (CHEBI:81347) is a β-D-glucoside (CHEBI:22798)
polygonimitin B (CHEBI:81347) is a monosaccharide derivative (CHEBI:63367)
polygonimitin B (CHEBI:81347) is a phenols (CHEBI:33853)
polygonimitin B (CHEBI:81347) is a xanthone glycoside (CHEBI:83231)
IUPAC Name
3-hydroxy-6,7-dimethyl-9-oxo-9H-xanthen-1-yl β-D-glucopyranoside
Manual Xref Database
C17809 KEGG COMPOUND
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Citations Waiting for Citations Types Sources
16564530 PubMed citation Europe PMC
21674436 PubMed citation Europe PMC
Last Modified
03 October 2014