input word = C00019314

Metabolite InformationStructural formula
Name Germanaism G
3',4'-Dihydroxy-5-methoxy-6,7-methylenedioxyisoflavone 3'-O-glucoside-4'-O-(2''-O-(4''''-acetyl-2''''-methoxyphenyl)glucoside)
Formula C38H40O19
Mw 800.2163791
CAS RN 696663-56-6
C_ID C00019314 ,
InChIKey IPDCHTGYPFGNIA-DPEIFOQMNA-N
InChICode InChI=1S/C38H40O19/c1-15(41)16-4-6-19(21(8-16)48-2)53-36-32(46)30(44)26(12-40)57-38(36)54-20-7-5-17(9-22(20)55-37-33(47)31(45)29(43)25(11-39)56-37)18-13-50-23-10-24-34(52-14-51-24)35(49-3)27(23)28(18)42/h4-10,13,25-26,29-33,36-40,43-47H,11-12,14H2,1-3H3/t25-,26-,29-,30-,31+,32+,33-,36+,37-,38-/m1/s1
SMILES COc1cc(C(C)=O)ccc1OC1[C@H](Oc2ccc(-c3coc4cc5c(c(OC)c4c3=O)OCO5)cc2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)OC(CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris germanica Ref.
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OrganismIris germanica
ReferenceAtta-Ur-Rahman,Helv. Chim. Acta,86,(2003),3354