input word = C00026964

Metabolite InformationStructural formula
Name Echinosulfonic acid C
Formula C19H14Br2N2O6S
Mw 555.89393273
CAS RN 246037-85-4
C_ID C00026964 ,
InChIKey BSALZFGGEQWCHA-UHFFFAOYNA-N
InChICode InChI=1S/C19H14Br2N2O6S/c1-29-18(24)23-9-15(13-5-3-11(21)7-17(13)23)19(25,30(26,27)28)14-8-22-16-6-10(20)2-4-12(14)16/h2-9,22,25H,1H3,(H,26,27,28)/t19-/m0/s1
SMILES c1c(cc2c(c1)c(cn2C(=O)OC)[C@](O)(c1c[nH]c2c1ccc(c2)Br)S(=O)(=O)O)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
--Echinodictyum sp. Ref.
zoom in