CID 74978295

2'-c-methylmyricetin 3-rhamnoside 5'-gallate

Structural Information

Molecular Formula
C29H26O16
SMILES
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4C)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O
InChI
InChI=1S/C29H26O16/c1-8-12(7-17(22(37)19(8)34)44-28(41)10-3-14(32)21(36)15(33)4-10)26-27(45-29-25(40)24(39)20(35)9(2)42-29)23(38)18-13(31)5-11(30)6-16(18)43-26/h3-7,9,20,24-25,29-37,39-40H,1-2H3
InChIKey
UETPEBBTEWIQAH-UHFFFAOYSA-N
Compound name
[5-[5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-2-yl]-2,3-dihydroxy-4-methylphenyl] 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.1221 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.12938 234.7
[M+Na]+ 653.11132 236.5
[M+NH4]+ 648.15592 235.7
[M+K]+ 669.08526 241.6
[M-H]- 629.11482 229.7
[M+Na-2H]- 651.09677 255.2
[M]+ 630.12155 233.8
[M]- 630.12265 233.8
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.