input word = C00023490

Metabolite InformationStructural formula
Name Isolinaritriol 12,16-diacetate
Formula C24H38O5
Mw 406.27192432
CAS RN 96888-25-4
C_ID C00023490 ,
InChIKey XKSHVSAIYAQZDQ-HMBMLORWNA-N
InChICode InChI=1S/C24H38O5/c1-16-8-7-9-22-23(16,5)12-10-17(2)24(22,6)14-21(29-19(4)27)20(11-13-25)15-28-18(3)26/h11,17,21-22,25H,1,7-10,12-15H2,2-6H3/b20-11+/t17-,21-,22+,23+,24+/m1/s1
SMILES C=C1CCC[C@@H]2[C@@](C)(C[C@@H](OC(C)=O)/C(=C/CO)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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