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CHEBI:197095 - Luteolin 7-sulfate-3'-rutinoside

ChEBI IDCHEBI:197095
ChEBI NameLuteolin 7-sulfate-3'-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O18S
Net Charge0
Average Mass674.586
Monoisotopic Mass674.11529
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3cc(-c4cc(=O)c5c(O)cc(OS(=O)(=O)O)cc5o4)ccc3O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C27H30O18S/c1-9-20(31)22(33)24(35)26(41-9)40-8-18-21(32)23(34)25(36)27(44-18)43-16-4-10(2-3-12(16)28)15-7-14(30)19-13(29)5-11(6-17(19)42-15)45-46(37,38)39/h2-7,9,18,20-29,31-36H,8H2,1H3,(H,37,38,39)/t9?,18?,20-,21+,22-,23?,24?,25?,26+,27+/m0/s1
InChIKeyXEPFWJSKSWCFRK-YXGHWVSDSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Luteolin 7-sulfate-3'-rutinoside (CHEBI:197095) is a flavonoids (CHEBI:72544)
Luteolin 7-sulfate-3'-rutinoside (CHEBI:197095) is a glycoside (CHEBI:24400)
IUPAC Name 
[5-hydroxy-2-[4-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl] hydrogen sulate
Manual XrefsDatabases
24843750ChemSpider
LMPK12110720LIPID MAPS