CID 75306307

Perilloside e

Structural Information

Molecular Formula
C17H22O9
SMILES
COC1=C(C2=C(C=C1CC=C)OCO2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C17H22O9/c1-3-4-8-5-9-15(24-7-23-9)16(14(8)22-2)26-17-13(21)12(20)11(19)10(6-18)25-17/h3,5,10-13,17-21H,1,4,6-7H2,2H3
InChIKey
TUDSCAUWKFENRC-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12637 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.133646 182.9
[M+Na]+ 393.115588 189.0
[M-H]- 369.119094 187.5
[M+NH4]+ 388.160193 191.5
[M+K]+ 409.089528 189.5
[M+H-H2O]+ 353.123630 177.3
[M+HCOO]- 415.124571 193.6
[M+CH3COO]- 429.140221 210.4
[M+Na-2H]- 391.101036 183.0
[M]+ 370.12582142 187.0
[M]- 370.12691858 187.0
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

No patent data available for this compound.