input word = C00033626

Metabolite InformationStructural formula
Name Alisol O
(+)-Alisol O
Formula C32H48O5
Mw 512.35017464
CAS RN 928148-51-0
C_ID C00033626 ,
InChIKey YDONEKYGVGENMF-GWOKLJLNNA-N
InChICode InChI=1S/C32H48O5/c1-18-16-21(27(29(5,6)35)36-19(2)33)37-22-17-32(9)20(26(18)22)10-11-24-30(7)14-13-25(34)28(3,4)23(30)12-15-31(24,32)8/h10-11,18,21-24,27,35H,12-17H2,1-9H3/t18-,21+,22+,23+,24+,27-,30+,31+,32+/m1/s1
SMILES CC(=O)O[C@H]([C@@H]1C[C@@H](C)C2=C3C=C[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O1)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientale Ref.
PlantaeRutaceaePhellodendron amurense Ref.
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OrganismAlisma orientale
ReferenceZhao,Phytochem.,69,(2008),527