input word = C00053981

Metabolite InformationStructural formula
Name Chenoalbuside
Formula C23H28O12
Mw 496.15807636
CAS RN 911062-62-9
C_ID C00053981
InChIKey NKBODMZKNXPWGU-PUIBNRJISA-N
InChICode InChI=1S/C23H28O12/c1-30-14-7-6-13(25)21(32-3)17(14)22(29)33-10-16-18(26)19(27)20(28)23(35-16)34-9-11-4-5-12(24)15(8-11)31-2/h4-8,16,18-20,23-28H,9-10H2,1-3H3/t16-,18-,19+,20-,23-/m1/s1
SMILES COc1cc(CO[C@@H]2O[C@H](COC(=O)c3c(OC)ccc(O)c3OC)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium album Ref.
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OrganismChenopodium album
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1140C

1142B (ir)