input word = C00047083

Metabolite InformationStructural formula
Name Prepolycitrin A
Formula C16H6Br4O5
Mw 593.6948749
CAS RN 168422-39-7
C_ID C00047083 ,
InChIKey BAQPAGXIZNWNKX-UHFFFAOYSA-N
InChICode InChI=1S/C16H6Br4O5/c17-7-1-5(2-8(18)13(7)21)11-12(16(24)25-15(11)23)6-3-9(19)14(22)10(20)4-6/h1-4,21-22H
SMILES C1(=C(C(=O)OC1=O)c1cc(c(c(c1)Br)O)Br)c1cc(c(c(c1)Br)O)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaClavelinidaePolycitor africanus Ref.
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