CHEBI:197135 - Scoparin 6''-O-glucoside

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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 Scoparin 6''-O-glucoside
ChEBI ID CHEBI:197135
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H32O16
Net Charge 0
Average Mass 624.548
Monoisotopic Mass 624.16903
InChI InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)30)14-6-13(33)18-11(31)5-12(32)19(26(18)42-14)27-24(38)22(36)21(35)17(43-27)8-41-28-25(39)23(37)20(34)16(7-29)44-28/h2-6,16-17,20-25,27-32,34-39H,7-8H2,1H3/t16?,17?,20-,21-,22+,23+,24?,25?,27+,28-/m1/s1
InChIKey HLDFVQBORWFGAX-FPLGPEGNSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(OC)=C(O)C=C4)[H])CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing Scoparin 6''-O-glucoside (CHEBI:197135) is a C-glycosyl compound (CHEBI:20857)
Scoparin 6''-O-glucoside (CHEBI:197135) is a flavonoids (CHEBI:72544)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one
Manual Xrefs Databases
24843783 ChemSpider
LMPK12110760 LIPID MAPS
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