CID 42608116

Flowerone

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C(=C(C=C3O)O)O)O)C
InChI
InChI=1S/C20H20O6/c1-10(2)3-4-11-7-12(5-6-13(11)21)17-9-15(23)18-14(22)8-16(24)19(25)20(18)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/m0/s1
InChIKey
WWUVLNPEWUTCEI-KRWDZBQOSA-N
Compound name
(2S)-5,7,8-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

466
Patents

356.12598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 183.0
[M+Na]+ 379.11520 190.5
[M-H]- 355.11870 186.6
[M+NH4]+ 374.15980 193.3
[M+K]+ 395.08914 186.6
[M+H-H2O]+ 339.12324 175.8
[M+HCOO]- 401.12418 195.4
[M+CH3COO]- 415.13983 210.2
[M+Na-2H]- 377.10065 182.3
[M]+ 356.12543 182.9
[M]- 356.12653 182.9
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