CID 11111496

Licoleafol

Structural Information

Molecular Formula
C20H20O7
SMILES
C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC(=C(C=C3)O)O)/CO
InChI
InChI=1S/C20H20O7/c1-10(9-21)2-4-12-14(23)7-16(25)19-17(26)8-18(27-20(12)19)11-3-5-13(22)15(24)6-11/h2-3,5-7,18,21-25H,4,8-9H2,1H3/b10-2+/t18-/m0/s1
InChIKey
CIJATEIGJFIOPE-OUOXKOSGSA-N
Compound name
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

372.1209 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 185.9
[M+Na]+ 395.11012 192.7
[M-H]- 371.11362 188.1
[M+NH4]+ 390.15472 194.7
[M+K]+ 411.08406 188.9
[M+H-H2O]+ 355.11816 178.7
[M+HCOO]- 417.11910 197.0
[M+CH3COO]- 431.13475 210.8
[M+Na-2H]- 393.09557 185.0
[M]+ 372.12035 185.6
[M]- 372.12145 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe