input word = C00021602

Metabolite InformationStructural formula
Name Laurencenone D
Formula C15H22BrClO
Mw 332.05425593
CAS RN 116384-28-2
C_ID C00021602 ,
InChIKey HUEHBYCLTKTTRM-NIPBAURFNA-N
InChICode InChI=1S/C15H22BrClO/c1-10-7-11(18)8-13(2,3)15(10)6-5-14(4,17)12(16)9-15/h7,12H,5-6,8-9H2,1-4H3/t12-,14-,15-/m1/s1
SMILES C1=C([C@@]2(C(CC1=O)(C)C)CC[C@]([C@@H](C2)Br)(Cl)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia obtusa Ref.
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OrganismLaurencia obtusa
ReferenceKennedy,Phytochem.,27,(1988),1761