input word = C00026962

Metabolite InformationStructural formula
Name Echinosulfonic acid A
Formula C21H18Br2N2O6S
Mw 583.92523285
CAS RN 246036-86-2
C_ID C00026962 ,
InChIKey DSVAMVQGWUJBQM-UHFFFAOYNA-N
InChICode InChI=1S/C21H18Br2N2O6S/c1-3-31-21(32(27,28)29,16-10-24-18-8-12(22)4-6-14(16)18)17-11-25(20(26)30-2)19-9-13(23)5-7-15(17)19/h4-11,24H,3H2,1-2H3,(H,27,28,29)/t21-/m1/s1
SMILES c1c(cc2c(c1)c(cn2C(=O)OC)[C@@](OCC)(c1c[nH]c2c1ccc(c2)Br)S(=O)(=O)O)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Echinodictyum sp. Ref.
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OrganismEchinodictyum sp.
ReferenceOvenden,J.Nat.Prod.,62,(1999),1246