input word = C00020596

Metabolite InformationStructural formula
Name Deoxygraminiliatrin
Formula C22H26O8
Mw 418.16276781
CAS RN 53142-47-5
C_ID C00020596 ,
InChIKey COBQTOZVOKAIHU-HMEDMEGJNA-N
InChICode InChI=1S/C22H26O8/c1-10(5-6-27-13(4)23)20(25)29-15-8-22(9-28-22)18-14(24)7-11(2)16(18)19-17(15)12(3)21(26)30-19/h5,7,14-19,24H,3,6,8-9H2,1-2,4H3/b10-5-/t14-,15+,16-,17+,18+,19-,22-/m0/s1
SMILES C1=C([C@H]2[C@@H]([C@H]1O)[C@]1(C[C@H]([C@@H]3[C@H]2OC(=O)C3=C)OC(=O)/C(=C\COC(=O)C)/C)CO1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris graminifolia Ref.
PlantaeAsteraceaeLiatris spp. Ref.
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