CID 10062749

Lepidimoic acid

Structural Information

Molecular Formula
C12H18O10
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O[C@@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O)O)O
InChI
InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18)/t3-,4-,6-,7+,8+,9+,11+,12+/m0/s1
InChIKey
PBUKNNGDHZLXKG-UYKOWFBBSA-N
Compound name
(2S,3R,4S)-3,4-dihydroxy-2-[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

36
Patents

322.09 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09728 168.4
[M+Na]+ 345.07922 174.7
[M+NH4]+ 340.12382 170.3
[M+K]+ 361.05316 176.7
[M-H]- 321.08272 167.9
[M+Na-2H]- 343.06467 165.0
[M]+ 322.08945 168.4
[M]- 322.09055 168.4
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.