input word = C00056101

Metabolite InformationStructural formula
Name Salicyloylsalicin
Formula C20H22O9
Mw 406.1263823
CAS RN 27968-78-1
C_ID C00056101
InChIKey YHBIHSCTXBGAIK-BFMVXSJESA-N
InChICode InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-4-1-5-11(14)10-27-19(26)12-6-2-3-7-13(12)22/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
SMILES OC1=C(C(OCC2=CC=CC=C2O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)C=CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaePopulus balsamifera Ref.
PlantaeSalicaceaePopulus deltoides Ref.
PlantaeSalicaceaePopulus trichocarpa Ref.
PlantaeSalicaceaeSalix petiolaris Ref.
PlantaeSalicaceaeSalix purpurea Ref.
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OrganismPopulus balsamifera
ReferenceBoeckler, G. A. et al., Phytochemistry, 72, (2011), 1497-1509.