input word = C00049254

Metabolite InformationStructural formula
Name Parguerol
Formula C22H33BrO5
Mw 456.15113706
CAS RN 83115-36-0
C_ID C00049254 ,
InChIKey NQFSWQKJYOCNSD-VBZHWXEFNA-N
InChICode InChI=1S/C22H33BrO5/c1-12(26)28-17-9-21(3)14-4-5-20(2,19(23)10-24)7-13(14)16(27)6-18(21)22(11-25)8-15(17)22/h4,13,15-19,24-25,27H,5-11H2,1-3H3/t13-,15+,16-,17-,18+,19+,20-,21+,22+/m1/s1
SMILES CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(CO)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
--Laurencia saitoi Ref.
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OrganismLaurencia saitoi
ReferenceKurata,Phytochem.,47,(1998),363