input word = C00019312

Metabolite InformationStructural formula
Name Germanaism E
4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone 4'-O-glucosylglucoside
Formula C29H32O16
Mw 636.16903498
CAS RN 696663-54-4
C_ID C00019312 ,
InChIKey FIMKKXUVGBDUNE-SLBHGYGINA-N
InChICode InChI=1S/C29H32O16/c1-38-27-18-14(6-15-26(27)42-10-41-15)39-8-13(19(18)31)11-2-4-12(5-3-11)43-29-25(37)23(35)21(33)17(45-29)9-40-28-24(36)22(34)20(32)16(7-30)44-28/h2-6,8,16-17,20-25,28-30,32-37H,7,9-10H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,28-,29-/m1/s1
SMILES c12c(c(c3c(c1)occ(c3=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeIris germanica Ref.
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