input word = C00008054

Metabolite InformationStructural formula
Name 6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside)
Formula C27H26O14
Mw 574.13225554
CAS RN
C_ID C00008054 ,
InChIKey NINVIEQDXJUHKJ-VWBMEHPMNA-N
InChICode InChI=1S/C27H26O14/c1-11(28)36-10-20-25(37-12(2)29)23(35)26(38-13(3)30)27(41-20)40-18-7-5-15-21(33)19(39-24(15)22(18)34)9-14-4-6-16(31)17(32)8-14/h4-9,20,23,25-27,31-32,34-35H,10H2,1-3H3/b19-9-/t20-,23+,25-,26-,27-/m1/s1
SMILES c12c(c(c(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)O)OC(=O)C)O)O/C(=C\c1ccc(c(c1)O)O)/C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens pilosa Ref.
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