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

19
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

literature stripe

Patent stripe

patents stripe