CID 73834427

Decurosidev

Structural Information

Molecular Formula
C20H24O10
SMILES
CC(C)(C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H24O10/c1-20(2,30-19-17(26)16(25)15(24)12(7-21)29-19)18-14(23)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3
InChIKey
KLPNFWKZLQAVTH-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

424.13693 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14421 193.4
[M+Na]+ 447.12615 202.1
[M+NH4]+ 442.17075 196.6
[M+K]+ 463.10009 204.0
[M-H]- 423.12965 196.2
[M+Na-2H]- 445.11160 190.3
[M]+ 424.13638 195.0
[M]- 424.13748 195.0
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