input word = C00000279

Metabolite InformationStructural formula
Name Ponalactone A glucoside
O-beta-D-Glucosyl ponalactone A
Formula C25H32O11
Mw 508.19446187
CAS RN 33722-81-5
C_ID C00000279 ,
InChIKey PDJUPXOAOPGOFV-XVVLEKTRNA-N
InChICode InChI=1S/C25H32O11/c1-8(2)17-9-5-11-19-24(3,10(9)6-13(27)34-17)20-18(35-20)21(25(19,4)23(31)33-11)36-22-16(30)15(29)14(28)12(7-26)32-22/h5-6,8,11-12,14-22,26,28-30H,7H2,1-4H3/t11-,12+,14+,15-,16+,17+,18-,19+,20+,21+,22-,24+,25+/m0/s1
SMILES [C@@H]12[C@H]([C@@]3(C(=O)O[C@H]4C=C5C(=CC(=O)O[C@@H]5C(C)C)[C@@]([C@@H]1O2)([C@H]34)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaePodocarpus nakaii Ref.
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