CID 131751353

Mahaleboside

Structural Information

Molecular Formula
C15H16O8
SMILES
C1=CC2=C(C=CC(=O)O2)C(=C1)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)22-9-3-1-2-8-7(9)4-5-11(17)21-8/h1-5,10,12-16,18-20H,6H2
InChIKey
UMXDJWMIEHQSHF-UHFFFAOYSA-N
Compound name
5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0845 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09178 169.6
[M+Na]+ 347.07372 181.4
[M+NH4]+ 342.11832 174.6
[M+K]+ 363.04766 178.7
[M-H]- 323.07722 173.0
[M+Na-2H]- 345.05917 171.3
[M]+ 324.08395 172.0
[M]- 324.08505 172.0
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.