input word = C00049256

Metabolite InformationStructural formula
Name Parguerol 16-acetate
Formula C24H35BrO6
Mw 498.16170175
CAS RN 83115-43-9
C_ID C00049256 ,
InChIKey UQVYEAXUIYZUCO-ZGISRRETNA-N
InChICode InChI=1S/C24H35BrO6/c1-13(27)30-11-21(25)22(3)6-5-16-15(8-22)18(29)7-20-23(16,4)10-19(31-14(2)28)17-9-24(17,20)12-26/h5,15,17-21,26,29H,6-12H2,1-4H3/t15-,17+,18-,19-,20+,21+,22-,23+,24+/m1/s1
SMILES CC(=O)OC[C@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(CO)C[C@H]3[C@H](OC(C)=O)C[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
--Laurencia saitoi Ref.
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