input word = C00022151

Metabolite InformationStructural formula
Name Helogynic acid
Formula C23H36O6
Mw 408.25118888
CAS RN 114437-14-8
C_ID C00022151 ,
InChIKey PIUYIJJDDFMMLN-QZGVQLMVNA-N
InChICode InChI=1S/C23H36O6/c1-17(11-12-18(2)19(3)23(27)28)7-5-9-22(16-29-20(4)26)10-6-8-21(15-25)13-14-24/h7,10,13,18,24-25H,3,5-6,8-9,11-12,14-16H2,1-2,4H3,(H,27,28)/b17-7+,21-13+,22-10-/t18-/m1/s1
SMILES C=C(C(=O)O)C(C)CC/C(C)=C/CC/C(=C/CC/C(=CCO)CO)COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelogyne apaloidea Ref.
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