CID 42607897

Poriolin

Structural Information

Molecular Formula
C22H24O10
SMILES
CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C22H24O10/c1-9-13(31-22-21(29)20(28)19(27)16(8-23)32-22)7-15-17(18(9)26)12(25)6-14(30-15)10-2-4-11(24)5-3-10/h2-5,7,14,16,19-24,26-29H,6,8H2,1H3
InChIKey
OTEDOZYVCYGPKP-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-6-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13693 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14421 204.3
[M+Na]+ 471.12615 209.5
[M-H]- 447.12965 208.9
[M+NH4]+ 466.17075 207.5
[M+K]+ 487.10009 209.1
[M+H-H2O]+ 431.13419 195.4
[M+HCOO]- 493.13513 210.1
[M+CH3COO]- 507.15078 226.1
[M+Na-2H]- 469.11160 201.9
[M]+ 448.13638 204.0
[M]- 448.13748 204.0
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.