input word = C00047643

Metabolite InformationStructural formula
Name 16-Acetoxy-15-bromo-7-hydroxy-9(11)-parguerene
(-)-16-Acetoxy-15-bromo-7-hydroxy-9(11)-parguerene
Formula C22H33BrO3
Mw 424.16130782
CAS RN 1187303-29-2
C_ID C00047643 ,
InChIKey TVPGLKMZPNMCDZ-PMYSQEMWNA-N
InChICode InChI=1S/C22H33BrO3/c1-13(24)26-12-19(23)20(2)7-6-16-15(11-20)17(25)9-18-21(16,3)8-5-14-10-22(14,18)4/h6,14-15,17-19,25H,5,7-12H2,1-4H3/t14-,15-,17-,18+,19+,20-,21+,22+/m0/s1
SMILES C1[C@]2([C@H]([C@]3([C@@H](C1)C3)C)C[C@@H]([C@@H]1C2=CC[C@@](C1)([C@@H](COC(=O)C)Br)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia fasciata Ref.
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OrganismAplysia fasciata
ReferenceIoannou,J.Nat.Prod.,72,(2009),1716