CID 131752776

Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside

Structural Information

Molecular Formula
C19H26O9
SMILES
CC(=CCC1=C(C(=CC(=C1)C(=O)OC)OC2C(C(C(C(O2)CO)O)O)O)O)C
InChI
InChI=1S/C19H26O9/c1-9(2)4-5-10-6-11(18(25)26-3)7-12(14(10)21)27-19-17(24)16(23)15(22)13(8-20)28-19/h4,6-7,13,15-17,19-24H,5,8H2,1-3H3
InChIKey
OZKMIACEGRRXQA-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-3-(3-methylbut-2-enyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.15768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.16496 192.1
[M+Na]+ 421.14690 199.3
[M+NH4]+ 416.19150 193.6
[M+K]+ 437.12084 198.8
[M-H]- 397.15040 191.0
[M+Na-2H]- 419.13235 189.8
[M]+ 398.15713 192.1
[M]- 398.15823 192.1
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.