CID 131752770

Beta-d-glucopyranosyl-11-hydroxyjasmonic acid

Structural Information

Molecular Formula
C18H28O9
SMILES
CC(/C=C/CC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2+
InChIKey
LAYQBSCEPAXXNJ-NSCUHMNNSA-N
Compound name
2-[3-oxo-2-[(E)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.17334 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18062 189.4
[M+Na]+ 411.16256 192.5
[M+NH4]+ 406.20716 190.4
[M+K]+ 427.13650 194.8
[M-H]- 387.16606 186.6
[M+Na-2H]- 409.14801 184.0
[M]+ 388.17279 188.0
[M]- 388.17389 188.0
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.