input word = C00045178

Metabolite InformationStructural formula
Name 3,7-Dihydroxycymopolone
Formula C16H23BrO5
Mw 374.07288675
CAS RN 413597-27-0
C_ID C00045178 ,
InChIKey KGQBMEHTCOJIMT-UHFFFAOYNA-N
InChICode InChI=1S/C16H23BrO5/c1-15(2,21)5-4-6-16(3,22)9-14(20)10-7-13(19)11(17)8-12(10)18/h7-8,18-19,21-22H,4-6,9H2,1-3H3/t16-/m0/s1
SMILES c1c(c(cc(c1O)C(=O)C[C@@](CCCC(C)(C)O)(C)O)O)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ViridiplantaeDasycladaceaeCymopolia barbata Ref.
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OrganismCymopolia barbata
ReferenceDorta,J.Nat.Prod.,65,(2002),329