input word = C00006008

Metabolite InformationStructural formula
Name Isorhamnetin 3-(6''-galloylglucoside)
Formula C29H26O16
Mw 630.12208479
CAS RN 115651-94-0
C_ID C00006008 ,
InChIKey AXNDDQYIYNIUAJ-MVKMMXMNNA-N
InChICode InChI=1S/C29H26O16/c1-41-17-6-10(2-3-13(17)31)26-27(23(37)20-14(32)7-12(30)8-18(20)43-26)45-29-25(39)24(38)22(36)19(44-29)9-42-28(40)11-4-15(33)21(35)16(34)5-11/h2-8,19,22,24-25,29-36,38-39H,9H2,1H3/t19-,22-,24+,25-,29+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus cerris Ref.
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