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@H]12/C=C(\[C@H]3[C@@H]([C@@H]4[C@@](C[C@H]([C@H]1C(=C)C(=O)O2)OC(=O)/C(=C\COC(=O)C)/C)(O4)C)O3)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris elegans Ref.
PlantaeAsteraceaeLiatris scabra Ref.
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