CID 44257417

(-)-4,9,11,12a-tetrahydroxyrotenone

Structural Information

Molecular Formula
C16H12O7
SMILES
C1C2C(C3=C(O1)C(=CC=C3)O)(C(=O)C4=C(C=C(C=C4O2)O)O)O
InChI
InChI=1S/C16H12O7/c17-7-4-10(19)13-11(5-7)23-12-6-22-14-8(2-1-3-9(14)18)16(12,21)15(13)20/h1-5,12,17-19,21H,6H2
InChIKey
TVQJMSRBMUCDHT-UHFFFAOYSA-N
Compound name
4,9,11,12a-tetrahydroxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.0583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 165.7
[M+Na]+ 339.04752 175.5
[M-H]- 315.05102 169.0
[M+NH4]+ 334.09212 180.1
[M+K]+ 355.02146 173.8
[M+H-H2O]+ 299.05556 159.1
[M+HCOO]- 361.05650 176.0
[M+CH3COO]- 375.07215 176.3
[M+Na-2H]- 337.03297 174.0
[M]+ 316.05775 166.8
[M]- 316.05885 166.8
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

patents stripe