CID 131751189

Methyl 7-epi-12-hydroxyjasmonate glucoside

Structural Information

Molecular Formula
C19H30O9
SMILES
COC(=O)CC1CCC(=O)C1C/C=C/CCOC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C19H30O9/c1-26-15(22)9-11-6-7-13(21)12(11)5-3-2-4-8-27-19-18(25)17(24)16(23)14(10-20)28-19/h2-3,11-12,14,16-20,23-25H,4-10H2,1H3/b3-2+
InChIKey
AJWIFVNLXHFTFD-NSCUHMNNSA-N
Compound name
methyl 2-[3-oxo-2-[(E)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

402.189 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.19628 194.1
[M+Na]+ 425.17822 197.9
[M+NH4]+ 420.22282 195.4
[M+K]+ 441.15216 198.8
[M-H]- 401.18172 191.9
[M+Na-2H]- 423.16367 189.3
[M]+ 402.18845 193.0
[M]- 402.18955 193.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.