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CHEBI:192871 - Ranupenin 3-rutinoside

ChEBI IDCHEBI:192871
ChEBI NameRanupenin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O17
Net Charge0
Average Mass640.547
Monoisotopic Mass640.16395
SMILESCOc1cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(-c3ccc(O)c(O)c3)oc2c1O
InChIInChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(43-14)45-26-19(35)15-12(31)6-13(40-2)18(34)25(15)44-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3/t8?,14?,16-,17+,20-,21?,22?,23?,27+,28-/m0/s1
InChIKeyAWDJLPGVCMQRAF-KBZDWQHUSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Ranupenin 3-rutinoside (CHEBI:192871) is a flavonoids (CHEBI:72544)
Ranupenin 3-rutinoside (CHEBI:192871) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-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
LMPK12113184LIPID MAPS
24845715ChemSpider