input word = C00050906

Metabolite InformationStructural formula
Name Isodoacetal
Formula C22H28O6
Mw 388.18858863
CAS RN 51419-50-2
C_ID C00050906
InChIKey BZMAMKVTSYOXJO-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O6/c1-10-12-7-13-15-21(8-12,17(10)26-11(2)23)19(24)28-14-5-6-20(3,4)16-18(27-13)25-9-22(14,15)16/h12-18H,1,5-9H2,2-4H3
SMILES C=C1C2CC3OC4OCC56C(CCC(C)(C)C45)OC(=O)C(C2)(C1OC(C)=O)C36
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
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