input word = C00048556

Metabolite InformationStructural formula
Name Tessmannic acid 1-methylbutyl ester
(+)-Tessmannic acid 1-methylbutyl ester
Formula C25H40O3
Mw 388.29774514
CAS RN 1190850-70-4
C_ID C00048556 ,
InChIKey TWYKMANSUWZUSO-QWASBYKWNA-N
InChICode InChI=1S/C25H40O3/c1-7-8-20(5)28-24(26)12-11-23-22(18(2)3)10-9-19(4)25(23,6)15-13-21-14-16-27-17-21/h14,16-17,19-20,23H,7-13,15H2,1-6H3/t19-,20-,23-,25+/m1/s1
SMILES [C@]1([C@@H](C(=C(C)C)CC[C@H]1C)CCC(=O)O[C@@H](CCC)C)(C)CCc1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTessmannia densiflora Ref.
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