CHEBI:192882 - Scoparin 2''-xyloside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Scoparin 2''-xyloside
ChEBI ID CHEBI:192882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O15
Net Charge 0
Average Mass 594.522
Monoisotopic Mass 594.15847
InChI InChI=1S/C27H30O15/c1-38-16-4-9(2-3-10(16)29)15-6-13(32)18-11(30)5-12(31)19(24(18)40-15)25-26(22(36)21(35)17(7-28)41-25)42-27-23(37)20(34)14(33)8-39-27/h2-6,14,17,20-23,25-31,33-37H,7-8H2,1H3
InChIKey ZMXRYFUILUMXHH-UHFFFAOYSA-N
SMILES O1C(C(OC2OCC(O)C(O)C2O)C(O)C(O)C1CO)C=3C=4OC(=CC(=O)C4C(O)=CC3O)C5=CC(OC)=C(O)C=C5
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Scoparin 2''-xyloside (CHEBI:192882) is a C-glycosyl compound (CHEBI:20857)
Scoparin 2''-xyloside (CHEBI:192882) is a flavonoids (CHEBI:72544)
IUPAC Name
8-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual Xref Database
HMDB0038814 HMDB
View more database links