input word = C00002749

Metabolite InformationStructural formula
Name Grandidentatin
Formula C21H28O9
Mw 424.17333249
CAS RN 15732-48-6
C_ID C00002749 ,
InChIKey ZTMPDTJBTNGZJH-YUMSBJKWNA-N
InChICode InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15+,16+,18-,19-,20+,21-/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@H](CCCC1)O)OC(=O)/C=C/c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaePopulus grandidentata Ref.
PlantaeSalicaceaePopulus tremuloides Ref.
PlantaeSalicaceaeSalix fragilis Ref.
PlantaeSalicaceaeSalix petiolaris Ref.
PlantaeSalicaceaeSalix purpurea Ref.
PlantaeSalicaceaeSalix triandra Ref.
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