input word = C00059474

Metabolite InformationStructural formula
Name [1alpha,2alpha(Z)]-3-Oxo-2-[5-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-2-pentenyl]-cyclopentaneacetic acid
Formula C26H36O13
Mw 556.21559124
CAS RN 124597-27-9
C_ID C00059474
InChIKey LQBYQZRYARRHFY-UHFFFAOYSA-N
InChICode InChI=1S/C26H36O13/c1-14(27)35-13-21-23(36-15(2)28)24(37-16(3)29)25(38-17(4)30)26(39-21)34-11-7-5-6-8-19-18(12-22(32)33)9-10-20(19)31/h5-6,18-19,21,23-26H,7-13H2,1-4H3,(H,32,33)
SMILES CC(=O)OCC1OC(OCCC=CCC2C(=O)CCC2CC(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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