CID 511796

4h-1-benzopyran-4-one, 7-(.alpha.-d-glucopyranosyloxy)-5-hydroxy-2,6,8-trimethyl-

Structural Information

Molecular Formula
C18H22O9
SMILES
CC1=CC(=O)C2=C(O1)C(=C(C(=C2O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
InChI
InChI=1S/C18H22O9/c1-6-4-9(20)11-12(21)7(2)16(8(3)17(11)25-6)27-18-15(24)14(23)13(22)10(5-19)26-18/h4,10,13-15,18-19,21-24H,5H2,1-3H3/t10-,13-,14+,15-,18-/m1/s1
InChIKey
SYRSLDAOMRWYGP-FRRILYKYSA-N
Compound name
5-hydroxy-2,6,8-trimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

382.12637 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13365 187.5
[M+Na]+ 405.11559 196.2
[M-H]- 381.11909 191.3
[M+NH4]+ 400.16019 195.2
[M+K]+ 421.08953 195.8
[M+H-H2O]+ 365.12363 180.3
[M+HCOO]- 427.12457 197.7
[M+CH3COO]- 441.14022 215.8
[M+Na-2H]- 403.10104 186.8
[M]+ 382.12582 191.5
[M]- 382.12692 191.5
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.