CID 73981752

6,7-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Structural Information

Molecular Formula
C17H20O10
SMILES
COC1=C(C(=C2C=CC(=O)OC2=C1)OC3C(C(C(C(O3)CO)O)O)O)OC
InChI
InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(16(9)24-2)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3
InChIKey
DHNNEMKGTXETQO-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.10565 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11293 184.3
[M+Na]+ 407.09487 195.2
[M+NH4]+ 402.13947 187.7
[M+K]+ 423.06881 193.6
[M-H]- 383.09837 186.7
[M+Na-2H]- 405.08032 184.1
[M]+ 384.10510 186.1
[M]- 384.10620 186.1
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.