CID 11530200

Salvianolic acid g

Structural Information

Molecular Formula
C18H12O7
SMILES
C1C(C(=O)C2=CC3=C(C(=C(C=C3)O)O)OC4=C(C=CC1=C24)O)C(=O)O
InChI
InChI=1S/C18H12O7/c19-11-3-2-8-6-9-13-7(5-10(14(9)21)18(23)24)1-4-12(20)17(13)25-16(8)15(11)22/h1-4,6,10,19-20,22H,5H2,(H,23,24)
InChIKey
AMPDZVASNOBSQZ-UHFFFAOYSA-N
Compound name
4,5,17-trihydroxy-11-oxo-2-oxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,9,14(18),15-heptaene-12-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

340.0583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06558 172.6
[M+Na]+ 363.04752 180.7
[M-H]- 339.05102 176.4
[M+NH4]+ 358.09212 185.2
[M+K]+ 379.02146 183.1
[M+H-H2O]+ 323.05556 168.6
[M+HCOO]- 385.05650 184.0
[M+CH3COO]- 399.07215 182.5
[M+Na-2H]- 361.03297 177.2
[M]+ 340.05775 172.6
[M]- 340.05885 172.6
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

patents stripe