CID 12310472

3-o-methylmangiferin

Structural Information

Molecular Formula
C20H20O11
SMILES
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3
InChIKey
HDPSXKXQSOVYLL-UHFFFAOYSA-N
Compound name
1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

436.10056 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.10784 198.8
[M+Na]+ 459.08978 210.9
[M+NH4]+ 454.13438 201.4
[M+K]+ 475.06372 209.6
[M-H]- 435.09328 201.1
[M+Na-2H]- 457.07523 197.1
[M]+ 436.10001 200.8
[M]- 436.10111 200.8
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