input word = C00005942

Metabolite InformationStructural formula
Name Herbacetin 8-(2'',3'',4''-triacetylxyloside)
Formula C26H24O14
Mw 560.11660548
CAS RN 58902-13-9
C_ID C00005942 ,
InChIKey UUUFLHFLFWPUFF-FVHFBWIJNA-N
InChICode InChI=1S/C26H24O14/c1-10(27)36-17-9-35-26(25(38-12(3)29)23(17)37-11(2)28)40-22-16(32)8-15(31)18-19(33)20(34)21(39-24(18)22)13-4-6-14(30)7-5-13/h4-8,17,23,25-26,30-32,34H,9H2,1-3H3/t17-,23+,25-,26-/m1/s1
SMILES c1(cc(c2c(c1O[C@@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C)oc(c(c2=O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola algida Ref.
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