input word = C00056453

Metabolite InformationStructural formula
Name Grayanoside A
Formula C24H28O10
Mw 476.16824712
CAS RN 110978-95-5
C_ID C00056453
InChIKey UPASGSSMBIZMDX-WNENLGFLSA-N
InChICode InChI=1S/C24H28O10/c1-31-18-12-15(4-8-17(18)26)5-9-20(27)33-13-19-21(28)22(29)23(30)24(34-19)32-11-10-14-2-6-16(25)7-3-14/h2-9,12,19,21-26,28-30H,10-11,13H2,1H3/b9-5+/t19-,21-,22+,23-,24-/m1/s1
SMILES OC1=C(OC)C=C(/C=C/C(OC[C@H]2O[C@@H](OCCC3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFragaria ananassa Ref.
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OrganismFragaria ananassa
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1166B

1166D (ir)