CID 131752854

Aromadendrin 3,7-diglucoside

Structural Information

Molecular Formula
C27H32O16
SMILES
C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O
InChI
InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2
InChIKey
LYZCSBKUDSHVOD-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[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

612.169 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.17628 235.4
[M+Na]+ 635.15822 235.6
[M+NH4]+ 630.20282 235.0
[M+K]+ 651.13216 241.6
[M-H]- 611.16172 228.5
[M+Na-2H]- 633.14367 254.4
[M]+ 612.16845 233.1
[M]- 612.16955 233.1
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.