CID 44258171

3'-o-methylderhamnosylmaysin

Structural Information

Molecular Formula
C22H20O10
SMILES
CC1C(=O)[C@@H](C([C@H](O1)C2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)O)O)O
InChI
InChI=1S/C22H20O10/c1-8-18(26)20(28)21(29)22(31-8)17-12(25)7-15-16(19(17)27)11(24)6-13(32-15)9-3-4-10(23)14(5-9)30-2/h3-8,20-23,25,27-29H,1-2H3/t8?,20-,21?,22+/m0/s1
InChIKey
ZXKDFTZACWMRCV-YTOPXCMESA-N
Compound name
6-[(2R,4R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.10565 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.112926 202.7
[M+Na]+ 467.094868 211.3
[M-H]- 443.098374 209.9
[M+NH4]+ 462.139473 207.1
[M+K]+ 483.068808 211.0
[M+H-H2O]+ 427.102910 193.4
[M+HCOO]- 489.103851 212.8
[M+CH3COO]- 503.119501 228.1
[M+Na-2H]- 465.080316 201.5
[M]+ 444.10510142 206.5
[M]- 444.10619858 206.5
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.