input word = C00000133

Metabolite InformationStructural formula
Name 13-Acetoxy-3-hydroxy-1(10),4,7(11)-germacratrien-12,6-olide
Formula C17H22O5
Mw 306.14672381
CAS RN 126829-66-1
C_ID C00000133 ,
InChIKey DSMOADJYFRMMKC-GAHPABTANA-N
InChICode InChI=1S/C17H22O5/c1-10-4-6-13-14(9-21-12(3)18)17(20)22-16(13)8-11(2)15(19)7-5-10/h5,8,15-16,19H,4,6-7,9H2,1-3H3/b10-5+,11-8+/t15-,16+/m0/s1
SMILES C1[C@@H](/C(=C/[C@@H]2C(=C(C(=O)O2)COC(=O)C)CC/C(=C/1)/C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePentzia eenii Ref.
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