input word = C00057225

Metabolite InformationStructural formula
Name Ponasteroside A
Formula C33H54O11
Mw 626.36661257
CAS RN 20117-33-3
C_ID C00057225
InChIKey CNAKQRUFJWYXIC-PPOCGGKUSA-N
InChICode InChI=1S/C33H54O11/c1-16(2)6-7-25(37)32(5,41)24-9-11-33(42)18-12-20(35)19-13-22(43-29-28(40)27(39)26(38)23(15-34)44-29)21(36)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 C[C@]12C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]1([H])C(C=C([C@]2([H])CC4)[C@]5(O)CC[C@@]([C@](O)(C)[C@H](O)CCC(C)C)([H])[C@]54C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
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