input word = C00012194

Metabolite InformationStructural formula
Name Liacylindrolide
Formula C25H32O7
Mw 444.21480338
CAS RN 72055-91-5
C_ID C00012194 ,
InChIKey MZDDYPUIJFFVAN-FWMHLMTNNA-N
InChICode InChI=1S/C25H32O7/c1-6-18(13-26)24(28)30-14-19(7-2)25(29)32-21-12-16(4)10-8-9-15(3)11-20-22(21)17(5)23(27)31-20/h6-7,10-11,20-22,26H,5,8-9,12-14H2,1-4H3/b15-11+,16-10+,18-6+,19-7+/t20-,21+,22-/m0/s1
SMILES C\1(=C/CC/C(=C/[C@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/C)/COC(=O)/C(=C/C)/CO)C(=C)C(=O)O2)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris cylindracea Ref.
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