input word = C00011844

Metabolite InformationStructural formula
Name Calein F
Caleine F
Formula C20H26O6
Mw 362.17293856
CAS RN 110300-74-8
C_ID C00011844 ,
InChIKey ONPQMJRPONUMCY-NDSVJLLTNA-N
InChICode InChI=1S/C20H26O6/c1-6-12(3)18(22)26-15-10-20(5,24)16(21)8-7-11(2)9-14-17(15)13(4)19(23)25-14/h6-8,11,14-15,17,24H,4,9-10H2,1-3,5H3/b8-7-,12-6+/t11-,14+,15+,17-,20-/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](C)/C=CC(=O)[C@@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea zacatechichi Ref.
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