input word = C00004233

Metabolite InformationStructural formula
Name Scutellarein 7,4'-dimethyl ether 6-sophoroside
Formula C29H34O16
Mw 638.18468504
CAS RN 57498-68-7
C_ID C00004233 ,
InChIKey KAJWTJDAJRTFSB-JQNOCUFHNA-N
InChICode InChI=1S/C29H34O16/c1-39-12-5-3-11(4-6-12)14-7-13(32)19-15(41-14)8-16(40-2)26(22(19)35)44-29-27(24(37)21(34)18(10-31)43-29)45-28-25(38)23(36)20(33)17(9-30)42-28/h3-8,17-18,20-21,23-25,27-31,33-38H,9-10H2,1-2H3/t17-,18-,20-,21-,23+,24+,25-,27+,28+,29+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeCatalpa ovata Ref.
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