input word = C00049874

Metabolite InformationStructural formula
Name Grenadadiene
(-)-Grenadadiene
Formula C20H31BrO4
Mw 414.14057238
CAS RN 205521-82-0
C_ID C00049874 ,
InChIKey IGWLQLNRNKKQCR-RVAUVNPONA-N
InChICode InChI=1S/C20H31BrO4/c1-3-4-5-6-7-9-17-14-18(17)11-12-20(23)24-13-8-10-19(21)15-25-16(2)22/h8,10,13,17-18H,3-7,9,11-12,14-15H2,1-2H3/b13-8-,19-10-/t17-,18-/m0/s1
SMILES CCCCCCC[C@@H]1[C@@H](CCC(=O)O/C=C\C=C(\COC(=O)C)/Br)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceSitachitta,J.Nat.Prod.,61,(1998),681