input word = C00012260

Metabolite InformationStructural formula
Name Deoxytifruticin
Formula C20H26O6
Mw 362.17293856
CAS RN 56377-63-0
C_ID C00012260 ,
InChIKey QUQPZVOBOIBITF-RXFFEIMFNA-N
InChICode InChI=1S/C20H26O6/c1-6-11(2)18(22)26-16-10-20(5,24)8-7-14(21)12(3)9-15-17(16)13(4)19(23)25-15/h6-9,14-17,21,24H,4,10H2,1-3,5H3/b8-7-,11-6-,12-9-/t14-,15-,16+,17-,20-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)/C=C[C@](C)(O)C[C@@H](OC(=O)/C(C)=CC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia fruticosa Ref.
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