input word = C00004490

Metabolite InformationStructural formula
Name Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside)
Formula C26H26O13
Mw 546.13734092
CAS RN
C_ID C00004490 ,
InChIKey LINLUWJKEOALAC-MDYQSBAKNA-N
InChICode InChI=1S/C26H26O13/c1-11(27)35-10-19-22(31)24(33)25(36-12(2)28)26(39-19)38-18-9-17-20(23(32)21(18)30)15(29)8-16(37-17)13-4-6-14(34-3)7-5-13/h4-9,19,22,24-26,30-33H,10H2,1-3H3/t19-,22+,24+,25-,26-/m1/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4OC(C)=O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis perfoliata Ref.
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