CID 163194191

7-hydroxy-2-phenyl-5-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C20H18O8
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=CC3=C2C(=O)C=C(O3)C4=CC=CC=C4)O)O)O)O
InChI
InChI=1S/C20H18O8/c21-11-6-15-17(12(22)8-14(27-15)10-4-2-1-3-5-10)16(7-11)28-20-19(25)18(24)13(23)9-26-20/h1-8,13,18-21,23-25H,9H2/t13-,18+,19-,20+/m1/s1
InChIKey
MMVMGMHYSQJGLO-RHMWYWNKSA-N
Compound name
7-hydroxy-2-phenyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.10016 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 186.8
[M+Na]+ 409.08938 194.0
[M-H]- 385.09288 194.3
[M+NH4]+ 404.13398 193.7
[M+K]+ 425.06332 192.8
[M+H-H2O]+ 369.09742 177.6
[M+HCOO]- 431.09836 199.1
[M+CH3COO]- 445.11401 213.1
[M+Na-2H]- 407.07483 189.4
[M]+ 386.09961 187.6
[M]- 386.10071 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.