input word = C00011948

Metabolite InformationStructural formula
Name Isofurocaespitane
[1S-(1alpha,3beta,4alpha)]-3-(4-Bromo-3-chloro-4-methylcyclohexyl)-2-methyl-furan
Formula C12H16BrClO
Mw 290.00730574
CAS RN 73436-45-0
C_ID C00011948 ,
InChIKey YTTGLDPFRQUKPQ-PGMLWUOVNA-N
InChICode InChI=1S/C12H16BrClO/c1-8-10(4-6-15-8)9-3-5-12(2,13)11(14)7-9/h4,6,9,11H,3,5,7H2,1-2H3/t9-,11+,12+/m0/s1
SMILES [C@@H]1([C@](CC[C@@H](C1)c1c(occ1)C)(C)Br)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia caespitosa Ref.
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