CID 131753091

Edulisin vi

Structural Information

Molecular Formula
C20H22O9
SMILES
CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H22O9/c1-20(2,29-19-17(25)16(24)15(23)12(8-21)27-19)13-7-10-11(26-13)5-3-9-4-6-14(22)28-18(9)10/h3-7,12,15-17,19,21,23-25H,8H2,1-2H3
InChIKey
RGKKEFIQHJTNIY-UHFFFAOYSA-N
Compound name
8-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]furo[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

406.12637 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13365 190.1
[M+Na]+ 429.11559 198.2
[M-H]- 405.11909 196.6
[M+NH4]+ 424.16019 198.3
[M+K]+ 445.08953 198.9
[M+H-H2O]+ 389.12363 184.4
[M+HCOO]- 451.12457 200.6
[M+CH3COO]- 465.14022 217.6
[M+Na-2H]- 427.10104 194.3
[M]+ 406.12582 196.3
[M]- 406.12692 196.3
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

patents stripe