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 C1CC(=C)[C@]2([C@H](C1)[C@]([C@@H](CC2)C)(C[C@H](/C(=C/COC(=O)C)/COC(=O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeLinaria saxatilis Ref.
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OrganismLinaria saxatilis
ReferenceSan Feliciano,Tetrahedron,41,(1985),671