input word = C00037820

Metabolite InformationStructural formula
Name Shogasulfonic acid D
Formula C21H26O10S
Mw 470.12466778
CAS RN 532929-73-0
C_ID C00037820 ,
InChIKey ZKNBKMKBFDAWTE-UHFFFAOYNA-N
InChICode InChI=1S/C21H26O10S/c1-30-18-9-12(7-16(23)20(18)25)3-5-14(22)11-15(32(27,28)29)6-4-13-8-17(24)21(26)19(10-13)31-2/h7-10,15,23-26H,3-6,11H2,1-2H3,(H,27,28,29)/t15-/m1/s1
SMILES COc1cc(CCC(=O)CC(CCc2cc(O)c(O)c(OC)c2)S(=O)(=O)O)cc(O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeZingiber officinale ROSCOE Ref.
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