input word = C00029409

Metabolite InformationStructural formula
Name 17,18-Epoxy-8-O-acetyl pumilin
Formula C22H24O9
Mw 432.14203237
CAS RN 99274-85-8
C_ID C00029409 ,
InChIKey WZPRWXFYWQCCJT-HZXNLJFGNA-N
InChICode InChI=1S/C22H24O9/c1-8-6-13(24)16-9(2)12(7-14(25)21(5)10(3)31-21)18(29-11(4)23)15-17(26)20(27)30-19(15)22(8,16)28/h6,10,12,15,18-19,28H,7H2,1-5H3/t10-,12+,15+,18-,19-,21+,22+/m0/s1
SMILES CC(=O)O[C@@H]1[C@H]2C(=O)C(=O)O[C@@H]2[C@@]2(O)C(C)=CC(=O)C2=C(C)[C@H]1CC(=O)C1(C)OC1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBalsamorhiza sagittata Ref.
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