input word = C00022209

Metabolite InformationStructural formula
Name Isoconcinndiol
Formula C20H35BrO2
Mw 386.18204326
CAS RN 78012-27-8
C_ID C00022209 ,
InChIKey ZOMPGFXUEOKUFB-DXIVHELANA-N
InChICode InChI=1S/C20H35BrO2/c1-7-18(4,22)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)23/h7,14-16,22-23H,1,8-13H2,2-6H3/t14-,15+,16-,18-,19+,20+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@@](C1)([C@H]([C@@](CC2)(O)C)CC[C@@](O)(C=C)C)C)(C)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia snyderae Ref.
--Laurencia snyderiae Ref.
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OrganismLaurencia snyderiae
ReferenceHoward,Phytochem.,19,(1980),2774