input word = C00008973

Metabolite InformationStructural formula
Name Davallioside A
Formula C25H29NO12
Mw 535.1689754
CAS RN 131747-15-4
C_ID C00008973 ,
InChIKey CJKRQCZVORIZCO-MIDFOSLCNA-N
InChICode InChI=1S/C25H29NO12/c27-8-17-20(33)21(34)22(35)25(37-17)36-16-6-10-13(29)7-15(31)19(11-2-4-18(32)26-11)24(10)38-23(16)9-1-3-12(28)14(30)5-9/h1,3,5,7,11,16-17,20-23,25,27-31,33-35H,2,4,6,8H2,(H,26,32)/t11-,16-,17+,20+,21-,22-,23-,25-/m0/s1
SMILES O=C1CCC(c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)C3)N1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeDavalliaceaeDavallia mariesii Ref.
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OrganismDavallia mariesii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Cui,Chem.Pharm.Bull.,38,(1990),2620