input word = C00010402

Metabolite InformationStructural formula
Name Costatone
Formula C10H12Br2Cl2O2
Mw 391.85811085
CAS RN 63023-59-6
C_ID C00010402 ,
InChIKey CVIPXLIMSIYMFK-COLWLWASNA-N
InChICode InChI=1S/C10H12Br2Cl2O2/c1-5(4-13)8-3-7(14)6(2)10(15,16-8)9(11)12/h4,8-9,15H,3H2,1-2H3/b5-4-/t8-,10+/m0/s1
SMILES CC1=C(Cl)C[C@@H](/C(C)=CCl)O[C@@]1(O)C(Br)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Plocamium costata Ref.
--Plocamium costatum Ref.
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OrganismPlocamium costata
ReferenceStierle,Tetrahedron Lett.,(1976),4455