CID 13888255

Afzelechin 7-apioside

Structural Information

Molecular Formula
C20H22O9
SMILES
C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(CO3)(CO)O)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H22O9/c21-8-20(26)9-27-19(18(20)25)28-12-5-14(23)13-7-15(24)17(29-16(13)6-12)10-1-3-11(22)4-2-10/h1-6,15,17-19,21-26H,7-9H2
InChIKey
BJBAEYMVZJJUEM-UHFFFAOYSA-N
Compound name
7-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.12637 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13365 191.1
[M+Na]+ 429.11559 200.6
[M+NH4]+ 424.16019 196.5
[M+K]+ 445.08953 198.8
[M-H]- 405.11909 194.9
[M+Na-2H]- 427.10104 192.8
[M]+ 406.12582 193.3
[M]- 406.12692 193.3
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

No patent data available for this compound.