input word = C00008747

Metabolite InformationStructural formula
Name Myricatin
Formula C22H16O15S
Mw 552.02099057
CAS RN 87338-96-3
C_ID C00008747 ,
InChIKey NIOPKCMFVWJHLB-UHFFFAOYNA-N
InChICode InChI=1S/C22H16O15S/c23-9-5-10(24)16-14(6-9)35-20(7-1-13(27)18(29)15(4-7)37-38(32,33)34)21(19(16)30)36-22(31)8-2-11(25)17(28)12(26)3-8/h1-6,20-21,23-29H,(H,32,33,34)/t20-,21+/m0/s1
SMILES c1c(c2c(cc1O)O[C@H]([C@@H](C2=O)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)OS(=O)(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica rubra Ref.
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