input word = C00049258

Metabolite InformationStructural formula
Name Parguerol triacetate
Formula C28H39BrO8
Mw 582.18283112
CAS RN 83115-37-1
C_ID C00049258 ,
InChIKey WXOXKGLRHFVTBW-HCWFORHDNA-N
InChICode InChI=1S/C28H39BrO8/c1-15(30)34-13-25(29)26(5)8-7-20-19(10-26)22(36-17(3)32)9-24-27(20,6)12-23(37-18(4)33)21-11-28(21,24)14-35-16(2)31/h7,19,21-25H,8-14H2,1-6H3/t19-,21?,22-,23-,24+,25+,26-,27+,28+/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)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia saitoi Ref.
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