CID 14427359

6,8-di-c-glucopyranosylnaringenin

Structural Information

Molecular Formula
C27H32O15
SMILES
C1C(OC2=C(C(=C(C(=C2C1=O)O)C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C27H32O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-4,11-13,17-18,21-24,26-30,32-39H,5-7H2
InChIKey
KLDARLGFVGIIIL-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.17413 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.18141 231.3
[M+Na]+ 619.16335 231.5
[M+NH4]+ 614.20795 231.0
[M+K]+ 635.13729 237.8
[M-H]- 595.16685 224.4
[M+Na-2H]- 617.14880 250.3
[M]+ 596.17358 229.0
[M]- 596.17468 229.0
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.