input word = C00045181

Metabolite InformationStructural formula
Name 3-Hydroxycymopolone
(-)-3-Hydroxycymopolone
Formula C16H21BrO4
Mw 356.06232206
CAS RN 413597-26-9
C_ID C00045181 ,
InChIKey YBJQYGUPGUBPII-UHFFFAOYNA-N
InChICode InChI=1S/C16H21BrO4/c1-10(2)5-4-6-16(3,21)9-15(20)11-7-14(19)12(17)8-13(11)18/h5,7-8,18-19,21H,4,6,9H2,1-3H3/t16-/m1/s1
SMILES c1c(c(cc(c1O)C(=O)C[C@@](CCC=C(C)C)(O)C)O)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ViridiplantaeDasycladaceaeCymopolia barbata Ref.
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