CID 10088118

3'-deoxydryopteric acid

Structural Information

Molecular Formula
C17H16O7
SMILES
C1=CC(=CC=C1[C@@H]2[C@@H]([C@H](C3=C(C=C(C=C3O2)O)O)CC(=O)O)O)O
InChI
InChI=1S/C17H16O7/c18-9-3-1-8(2-4-9)17-16(23)11(7-14(21)22)15-12(20)5-10(19)6-13(15)24-17/h1-6,11,16-20,23H,7H2,(H,21,22)/t11-,16+,17+/m0/s1
InChIKey
FCSOHSUDNFXNPU-YMRXKLBXSA-N
Compound name
2-[(2R,3R,4S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0896 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09688 172.9
[M+Na]+ 355.07882 179.8
[M-H]- 331.08232 175.3
[M+NH4]+ 350.12342 183.1
[M+K]+ 371.05276 177.0
[M+H-H2O]+ 315.08686 166.0
[M+HCOO]- 377.08780 184.9
[M+CH3COO]- 391.10345 201.7
[M+Na-2H]- 353.06427 174.3
[M]+ 332.08905 171.9
[M]- 332.09015 171.9
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.