input word = C00057350

Metabolite InformationStructural formula
Name Polypodosaponin
Formula C39H62O13
Mw 738.41904207
CAS RN 33285-16-4
C_ID C00057350
InChIKey MLAYKJNHCRIBKC-UHFFFAOYSA-N
InChICode InChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)47)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(32(45)30(43)28(16-40)51-37)52-36-33(46)31(44)29(42)19(3)48-36/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3
SMILES CC12CCC(OC3C(OC4C(O)C(O)C(O)C(C)O4)C(O)C(O)C(CO)O3)CC1C(C=C5C(CCC6C(C)C7CCC(C)C(O)O7)C6(C)CCC25)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolypodiaceaePolypodium vulgare Ref.
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