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 192.1
[M+Na]+ 425.17822 194.3
[M-H]- 401.18172 192.8
[M+NH4]+ 420.22282 200.7
[M+K]+ 441.15216 192.7
[M+H-H2O]+ 385.18626 186.2
[M+HCOO]- 447.18720 202.4
[M+CH3COO]- 461.20285 214.5
[M+Na-2H]- 423.16367 186.0
[M]+ 402.18845 192.5
[M]- 402.18955 192.5
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.