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CHEBI:197201 - isorhamnetin 3-rutinoside-7-glucoside

Default Structure
ChEBI IDCHEBI:197201
ChEBI Nameisorhamnetin 3-rutinoside-7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O21
Net Charge0
Average Mass786.689
Monoisotopic Mass786.22186
SMILESCOc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C34H42O21/c1-10-20(38)24(42)27(45)32(50-10)49-9-18-22(40)26(44)29(47)34(54-18)55-31-23(41)19-14(37)6-12(51-33-28(46)25(43)21(39)17(8-35)53-33)7-16(19)52-30(31)11-3-4-13(36)15(5-11)48-2/h3-7,10,17-18,20-22,24-29,32-40,42-47H,8-9H2,1-2H3/t10?,17?,18?,20-,21+,22+,24-,25-,26?,27?,28?,29?,32+,33+,34-/m0/s1
InChIKeyVLDJCNQOIAEWHD-WYYJSHOTSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
isorhamnetin 3-rutinoside-7-glucoside (CHEBI:197201) is a flavonoids (CHEBI:72544)
isorhamnetin 3-rutinoside-7-glucoside (CHEBI:197201) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845050ChemSpider
LMPK12112355LIPID MAPS