input word = C00060561

Metabolite InformationStructural formula
Name Alisol A 24-acetate
Formula C32H52O6
Mw 532.37638939
CAS RN 18674-16-3
C_ID C00060561
InChIKey WXHUQVMHWUQNTG-JSWHPQHOSA-N
InChICode InChI=1S/C32H52O6/c1-18(16-23(35)27(29(5,6)37)38-19(2)33)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(36)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34-35,37H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
SMILES CC(=O)OC(C(O)CC(C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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