input word = C00003253

Metabolite InformationStructural formula
Name Eleganin
Formula C22H26O9
Mw 434.15768243
CAS RN 57498-84-7
C_ID C00003253 ,
InChIKey RPCAPUZHOOCZMO-GBISUSBCNA-N
InChICode InChI=1S/C22H26O9/c1-10(5-6-27-12(3)24)20(25)29-15-8-22(4)19(31-22)18-17(30-18)13(9-23)7-14-16(15)11(2)21(26)28-14/h5,7,14-19,23H,2,6,8-9H2,1,3-4H3/b10-5-,13-7-/t14-,15+,16-,17-,18-,19+,22+/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@H]3O[C@@H]3[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=CCOC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris elegans Ref.
PlantaeAsteraceaeLiatris scabra Ref.
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