input word = C00003315

Metabolite InformationStructural formula
Name Liatrin
Formula C22H26O8
Mw 418.16276781
CAS RN 34175-79-6
C_ID C00003315 ,
InChIKey PVBVYSOUXOHMEA-KVBOVFDCNA-N
InChICode InChI=1S/C22H26O8/c1-6-15(11-27-14(4)23)20(25)29-17-10-21(5)7-8-22(26,30-21)12(2)9-16-18(17)13(3)19(24)28-16/h6-9,16-18,26H,3,10-11H2,1-2,4-5H3/b12-9-,15-6-/t16-,17+,18-,21-,22+/m0/s1
SMILES [C@]12(C=C[C@@](O1)(/C(=C\[C@H]1[C@H](C(=C)C(=O)O1)[C@@H](C2)OC(=O)/C(=C\C)/COC(=O)C)/C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris champmanii Ref.
PlantaeAsteraceaeLiatris chapmanii Ref.
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OrganismLiatris champmanii
ReferenceWang, et al., Handbook of Effective Components in Vegetal Medicines, People Health Press, Beijing, (1986)