CID 13888255

D-apio-beta-d-furanoside, 3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2h-1-benzopyran-7-yl, (2r-trans)-

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
2
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]+ 407.133646 190.1
[M+Na]+ 429.115588 195.8
[M-H]- 405.119094 194.9
[M+NH4]+ 424.160193 198.7
[M+K]+ 445.089528 194.6
[M+H-H2O]+ 389.123630 183.9
[M+HCOO]- 451.124571 198.8
[M+CH3COO]- 465.140221 211.8
[M+Na-2H]- 427.101036 190.7
[M]+ 406.12582142 189.9
[M]- 406.12691858 189.9
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.