input word = C00005938

Metabolite InformationStructural formula
Name Herbacetin 7-(6''-quinoylglucoside)
Formula C28H30O17
Mw 638.14829954
CAS RN 95262-52-5
C_ID C00005938 ,
InChIKey KNYZHZVZURTVHM-HDEYJENDNA-N
InChICode InChI=1S/C28H30O17/c29-10-3-1-9(2-4-10)24-22(38)20(36)16-11(30)5-14(19(35)25(16)45-24)43-26-23(39)21(37)18(34)15(44-26)8-42-27(40)28(41)6-12(31)17(33)13(32)7-28/h1-5,12-13,15,17-18,21,23,26,29-35,37-39,41H,6-8H2/t12-,13-,15-,17-,18+,21+,23-,26-,28-/m1/s1
SMILES c1(cc(c2c(c1O)oc(c(c2=O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)[C@@]1(C[C@H]([C@@H]([C@@H](C1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra alata Ref.
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