input word = C00004989

Metabolite InformationStructural formula
Name Gnaphaliin 7-epoxymethylbutyl ether
Formula C22H22O7
Mw 398.13655306
CAS RN 94390-13-3
C_ID C00004989 ,
InChIKey ZSBMVYLMXIISEC-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O7/c1-22(2)15(29-22)11-27-14-10-13(23)16-17(24)21(26-4)18(12-8-6-5-7-9-12)28-20(16)19(14)25-3/h5-10,15,23H,11H2,1-4H3/t15-/m0/s1
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)OC)c1ccccc1)O)OC[C@@H]1OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline flaccida Ref.
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