input word = C00026963

Metabolite InformationStructural formula
Name Echinosulfonic acid B
Formula C20H16Br2N2O6S
Mw 569.90958279
CAS RN 246037-60-5
C_ID C00026963 ,
InChIKey OODYBCNKASMAJO-UHFFFAOYNA-N
InChICode InChI=1S/C20H16Br2N2O6S/c1-29-19(25)24-10-16(14-6-4-12(22)8-18(14)24)20(30-2,31(26,27)28)15-9-23-17-7-11(21)3-5-13(15)17/h3-10,23H,1-2H3,(H,26,27,28)/t20-/m0/s1
SMILES COC(=O)n1cc(C(OC)(c2c[nH]c3cc(Br)ccc23)S(=O)(=O)O)c2ccc(Br)cc21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Echinodictyum sp. Ref.
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