input word = C00046460

Metabolite InformationStructural formula
Name Thorectandrol A
(-)-Thorectandrol A
Formula C25H38O2
Mw 370.28718046
CAS RN 346578-57-2
C_ID C00046460 ,
InChIKey QQKDQHJTKIBERS-VODXMDLJNA-N
InChICode InChI=1S/C25H38O3/c1-17(9-10-21-20(16-26)15-23(27)28-21)11-13-24(4)19(3)12-14-25(5)18(2)7-6-8-22(24)25/h9,15,19,21-22,26H,2,6-8,10-14,16H2,1,3-5H3/b17-9+/t19-,21+,22-,24+,25+/m0/s1
SMILES [C@@H]1(CC[C@]2([C@H]([C@@]1(CC/C(=C/C[C@@H]1C(=CC(=O)O1)CO)/C)C)CCCC2=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Thorectandra sp. Ref.
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