CID 131751338

Jasmolone glucoside

Structural Information

Molecular Formula
C17H26O7
SMILES
CC/C=C/CC1=C(C(CC1=O)OC2C(C(C(C(O2)CO)O)O)O)C
InChI
InChI=1S/C17H26O7/c1-3-4-5-6-10-9(2)12(7-11(10)19)23-17-16(22)15(21)14(20)13(8-18)24-17/h4-5,12-18,20-22H,3,6-8H2,1-2H3/b5-4+
InChIKey
NGPYRFLYLKLRDH-SNAWJCMRSA-N
Compound name
3-methyl-2-[(E)-pent-2-enyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

342.16785 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17513 179.3
[M+Na]+ 365.15707 184.8
[M-H]- 341.16057 181.2
[M+NH4]+ 360.20167 191.1
[M+K]+ 381.13101 181.9
[M+H-H2O]+ 325.16511 174.0
[M+HCOO]- 387.16605 192.1
[M+CH3COO]- 401.18170 205.0
[M+Na-2H]- 363.14252 174.8
[M]+ 342.16730 179.3
[M]- 342.16840 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe