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 189.8
[M+Na]+ 429.11559 201.1
[M+NH4]+ 424.16019 194.0
[M+K]+ 445.08953 201.3
[M-H]- 405.11909 193.9
[M+Na-2H]- 427.10104 189.4
[M]+ 406.12582 192.4
[M]- 406.12692 192.4
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

patents stripe