input word = C00023493

Metabolite InformationStructural formula
Name Isolinaritriol triacetate
Formula C26H40O6
Mw 448.28248901
CAS RN 96947-58-9
C_ID C00023493 ,
InChIKey QZVBOHJQUQFCGN-REKJMQDANA-N
InChICode InChI=1S/C26H40O6/c1-17-9-8-10-24-25(17,6)13-11-18(2)26(24,7)15-23(32-21(5)29)22(16-31-20(4)28)12-14-30-19(3)27/h12,18,23-24H,1,8-11,13-16H2,2-7H3/b22-12+/t18-,23-,24+,25+,26+/m1/s1
SMILES C=C1CCC[C@@H]2[C@@](C)(C[C@@H](OC(C)=O)/C(=C/COC(C)=O)COC(C)=O)[C@H](C)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeLinaria saxatilis Ref.
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