input word = C00022395

Metabolite InformationStructural formula
Name Galeuterone
Formula C22H32O6
Mw 392.21988875
CAS RN 95261-28-2
C_ID C00022395 ,
InChIKey AXXJTHPIGPKUOM-JINFHBTRNA-N
InChICode InChI=1S/C22H32O6/c1-14(23)28-18-16(24)17-19(2,3)9-6-10-20(17,4)22(26,21(18,5)25)11-7-15-8-12-27-13-15/h8,12-13,17-18,25-26H,6-7,9-11H2,1-5H3/t17-,18+,20+,21+,22+/m1/s1
SMILES [C@H]1([C@]([C@]([C@@]2([C@H](C1=O)C(CCC2)(C)C)C)(O)CCc1ccoc1)(C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeGaleopsis reuteri Ref.
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