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 168.6
[M+Na]+ 347.07372 176.2
[M-H]- 323.07722 173.0
[M+NH4]+ 342.11832 178.5
[M+K]+ 363.04766 175.6
[M+H-H2O]+ 307.08176 161.3
[M+HCOO]- 369.08270 181.6
[M+CH3COO]- 383.09835 200.1
[M+Na-2H]- 345.05917 172.6
[M]+ 324.08395 170.1
[M]- 324.08505 170.1
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.