input word = C00005941

Metabolite InformationStructural formula
Name Herbacetin 8-(2'',3''-diacetylxyloside)
Formula C24H22O13
Mw 518.10604079
CAS RN 58902-12-8
C_ID C00005941 ,
InChIKey XISTWCWMRYYNJX-HORJTERINA-N
InChICode InChI=1S/C24H22O13/c1-9(25)34-21-15(30)8-33-24(23(21)35-10(2)26)37-20-14(29)7-13(28)16-17(31)18(32)19(36-22(16)20)11-3-5-12(27)6-4-11/h3-7,15,21,23-24,27-30,32H,8H2,1-2H3/t15-,21-,23+,24+/m0/s1
SMILES c1(cc(c2c(c1O[C@@H]1[C@@H]([C@H]([C@H](CO1)O)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.
PlantaeCrassulaceaeRhodiola gelida Ref.
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