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 c12c(c(c3c(c1)occ(c3=O)c1cc(c(cc1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)Oc1ccc(cc1OC)C(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris germanica Ref.
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