CID 14345578

Torachrysone 8-glucoside

Structural Information

Molecular Formula
C20H24O9
SMILES
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC
InChI
InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3
InChIKey
GHKWPHRULCFTBB-UHFFFAOYSA-N
Compound name
1-[1-hydroxy-6-methoxy-3-methyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

408.14203 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14931 192.6
[M+Na]+ 431.13125 198.9
[M-H]- 407.13475 194.9
[M+NH4]+ 426.17585 200.0
[M+K]+ 447.10519 198.1
[M+H-H2O]+ 391.13929 185.2
[M+HCOO]- 453.14023 202.1
[M+CH3COO]- 467.15588 220.5
[M+Na-2H]- 429.11670 190.0
[M]+ 408.14148 195.4
[M]- 408.14258 195.4
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.