CID 73202

Pinobanksin

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1
InChIKey
SUYJZKRQHBQNCA-LSDHHAIUSA-N
Compound name
(2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

4396
Patents

272.06848 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07576 158.3
[M+Na]+ 295.05770 172.5
[M+NH4]+ 290.10230 165.7
[M+K]+ 311.03164 167.1
[M-H]- 271.06120 162.7
[M+Na-2H]- 293.04315 163.7
[M]+ 272.06793 161.5
[M]- 272.06903 161.5
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

patents stripe