input word = C00037817

Metabolite InformationStructural formula
Name Shogasulfonic acid A
Formula C21H26O8S
Mw 438.13483854
CAS RN 532929-70-7
C_ID C00037817 ,
InChIKey MWOFQBPRQXZTQC-UHFFFAOYNA-N
InChICode InChI=1S/C21H26O8S/c1-28-20-11-14(5-9-18(20)23)3-7-16(22)13-17(30(25,26)27)8-4-15-6-10-19(24)21(12-15)29-2/h5-6,9-12,17,23-24H,3-4,7-8,13H2,1-2H3,(H,25,26,27)/t17-/m0/s1
SMILES c1c(c(cc(c1)CCC(=O)C[C@H](CCc1ccc(c(c1)OC)O)S(=O)(=O)O)OC)O
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