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CHEBI:192459 - Spinacetin 3-rutinoside

ChEBI IDCHEBI:192459
ChEBI NameSpinacetin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O17
Net Charge0
Average Mass654.574
Monoisotopic Mass654.17960
SMILESCOc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C29H34O17/c1-9-17(32)21(36)23(38)28(43-9)42-8-15-18(33)22(37)24(39)29(45-15)46-27-20(35)16-14(7-12(31)26(41-3)19(16)34)44-25(27)10-4-5-11(30)13(6-10)40-2/h4-7,9,15,17-18,21-24,28-34,36-39H,8H2,1-3H3
InChIKeyGYMVARJSAYZGSZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Spinacetin 3-rutinoside (CHEBI:192459) is a flavonoids (CHEBI:72544)
Spinacetin 3-rutinoside (CHEBI:192459) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0037470HMDB