input word = C00048252

Metabolite InformationStructural formula
Name 14-epi-Ponasterone A 22-glucoside
(+)-14-epi-Ponasterone A 22-glucoside
Formula C33H54O11
Mw 626.36661257
CAS RN 1026800-44-1
C_ID C00048252 ,
InChIKey UPMZPXAMHPZSQX-CSHWXCLSNA-N
InChICode InChI=1S/C33H54O11/c1-16(2)6-7-25(44-29-28(40)27(39)26(38)23(15-34)43-29)32(5,41)24-9-11-33(42)18-12-20(35)19-13-21(36)22(37)14-30(19,3)17(18)8-10-31(24,33)4/h12,16-17,19,21-29,34,36-42H,6-11,13-15H2,1-5H3/t17-,19-,21+,22-,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
SMILES CC(C)CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](C)(O)[C@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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