input word = C00037818

Metabolite InformationStructural formula
Name Shogasulfonic acid B
(-)-Shogasulfonic acid B
Formula C20H24O8S
Mw 424.11918847
CAS RN 532929-71-8
C_ID C00037818 ,
InChIKey YHSDFQBXPYLYMP-UHFFFAOYNA-N
InChICode InChI=1S/C20H24O8S/c1-28-20-11-14(5-9-18(20)23)2-6-15(21)12-16(29(25,26)27)7-3-13-4-8-17(22)19(24)10-13/h4-5,8-11,16,22-24H,2-3,6-7,12H2,1H3,(H,25,26,27)/t16-/m1/s1
SMILES COc1cc(CCC(=O)CC(CCc2ccc(O)c(O)c2)S(=O)(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeZingiber officinale ROSCOE Ref.
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OrganismZingiber officinale ROSCOE
ReferenceHori,Phytochem.,62,(2003),613