CHEBI:197155 - 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside

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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 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside
ChEBI ID CHEBI:197155
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O18
Net Charge 0
Average Mass 684.600
Monoisotopic Mass 684.19016
InChI InChI=1S/C30H36O18/c1-40-22-13-15(33)25(41-2)21(46-23(13)27(43-4)18(36)26(22)42-3)10-5-7-11(8-6-10)44-30-20(38)24(19(37)28(39)48-30)47-29-17(35)16(34)14(32)12(9-31)45-29/h5-8,12,14,16-17,19-20,24,28-32,34-39H,9H2,1-4H3/t12?,14-,16+,17?,19-,20?,24?,28+,29+,30-/m1/s1
InChIKey XBSPWCXTAZLBFV-VBOYDLJMSA-N
SMILES O(C1C(O)[C@@H](O[C@H](O)[C@@H]1O)OC2=CC=C(C=C2)C=3OC4=C(C(=O)C3OC)C(OC)=C(OC)C(O)=C4OC)[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 7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside (CHEBI:197155) is a flavonoids (CHEBI:72544)
7,4'-Dihydroxy-3,5,6,8-tetramethoxyflavone 4'-glucosyl-(1->3)-galactoside (CHEBI:197155) is a glycoside (CHEBI:24400)
IUPAC Name
7-hydroxy-3,5,6,8-tetramethoxy-2-[4-[(2R,5R,6S)-3,5,6-trihydroxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]chromen-4-one
Manual Xrefs Databases
24845802 ChemSpider
LMPK12113303 LIPID MAPS
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