input word = C00049255

Metabolite InformationStructural formula
Name Parguerol 16,19-diacetate
Formula C26H37BrO7
Mw 540.17226644
CAS RN 113866-66-3
C_ID C00049255 ,
InChIKey NVKPDTRBPDKUME-KRFRIHKHNA-N
InChICode InChI=1S/C26H37BrO7/c1-14(28)32-12-23(27)24(4)7-6-18-17(9-24)20(31)8-22-25(18,5)11-21(34-16(3)30)19-10-26(19,22)13-33-15(2)29/h6,17,19-23,31H,7-13H2,1-5H3/t17-,19+,20-,21-,22+,23+,24-,25+,26+/m1/s1
SMILES C1[C@@]2([C@@H]([C@]3([C@H]([C@@H]1OC(=O)C)C3)COC(=O)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
--Laurencia saitoi Ref.
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