CID 157009767

6-[(3r,4s,6s)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C22H20O10
SMILES
C[C@H]1C(=O)[C@H]([C@H](C(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-QHXVAADCSA-N
Compound name
6-[(3R,4S,6S)-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]+ 445.11293 202.7
[M+Na]+ 467.09487 211.3
[M-H]- 443.09837 209.9
[M+NH4]+ 462.13947 207.1
[M+K]+ 483.06881 211.0
[M+H-H2O]+ 427.10291 193.4
[M+HCOO]- 489.10385 212.8
[M+CH3COO]- 503.11950 228.1
[M+Na-2H]- 465.08032 201.5
[M]+ 444.10510 206.5
[M]- 444.10620 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.