input word = C00048514

Metabolite InformationStructural formula
Name Polypodine B 20,22-acetonide
Formula C30H48O8
Mw 536.33491851
CAS RN 159858-85-2
C_ID C00048514 ,
InChIKey HZCBCWUIZCCMEB-SNCLTEQQNA-N
InChICode InChI=1S/C30H48O8/c1-24(2,34)11-10-23-28(7,38-25(3,4)37-23)21-9-13-29(35)18-14-22(33)30(36)16-20(32)19(31)15-27(30,6)17(18)8-12-26(21,29)5/h14,17,19-21,23,31-32,34-36H,8-13,15-16H2,1-7H3/t17-,19-,20+,21-,23+,26+,27+,28+,29+,30+/m0/s1
SMILES C1[C@H]2C(=CC(=O)[C@]3([C@@]2(C[C@@H]([C@@H](C3)O)O)C)O)[C@]2([C@](C1)([C@H](CC2)[C@]1(OC(O[C@@H]1CCC(C)(O)C)(C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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