CHEBI:183491 - 2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside
ChEBI ID CHEBI:183491
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H24O12
Net Charge 0
Average Mass 456.400
Monoisotopic Mass 456.12678
InChI InChI=1S/C20H24O12/c21-10-6-28-19(17(26)14(10)23)29-7-12-15(24)16(25)18(27)20(32-12)30-9-3-1-8-2-4-13(22)31-11(8)5-9/h1-5,10,12,14-21,23-27H,6-7H2/t10-,12-,14+,15-,16+,17-,18-,19+,20-/m1/s1
InChIKey FCJIWTZAADYCGI-LUFRPPBASA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC(=O)C=CC3C=C2)CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside (CHEBI:183491) is a coumarins (CHEBI:23403)
2-Oxo-2H-chromen-7-yl 6-O-Beta-D-xylopyranosyl-Beta-D-glucopyranoside (CHEBI:183491) is a glycoside (CHEBI:24400)
IUPAC Name
7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
Manual Xref Database
8248285 ChemSpider
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