input word = C00012559

Metabolite InformationStructural formula
Name (2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Caraibical
Formula C15H17BrO2
Mw 308.04119269
CAS RN 79383-37-2
C_ID C00012559 ,
InChIKey FIRGSXQSPWYITE-FDELXXHSNA-N
InChICode InChI=1S/C15H17BrO2/c1-8-4-13-11(5-12(8)16)15(3)6-14(18-13)10(7-17)9(15)2/h4-5,7,9-10,14H,6H2,1-3H3/t9-,10-,14-,15?/m0/s1
SMILES c1c(c(cc2c1[C@]1([C@H]([C@@H]([C@@H](O2)C1)C=O)C)C)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia caraibica Ref.
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OrganismLaurencia caraibica
ReferenceIzac,Tetrahedron Lett.,(1981),1799