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]+ 403.196276 192.1
[M+Na]+ 425.178218 194.3
[M-H]- 401.181724 192.8
[M+NH4]+ 420.222823 200.7
[M+K]+ 441.152158 192.7
[M+H-H2O]+ 385.186260 186.2
[M+HCOO]- 447.187201 202.4
[M+CH3COO]- 461.202851 214.5
[M+Na-2H]- 423.163666 186.0
[M]+ 402.18845142 192.5
[M]- 402.18954858 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.