CID 5315126

Uralenol

Structural Information

Molecular Formula
C20H18O7
SMILES
CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O)C
InChI
InChI=1S/C20H18O7/c1-9(2)3-4-10-5-11(6-14(23)17(10)24)20-19(26)18(25)16-13(22)7-12(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3
InChIKey
WOMWVGHYSNATOB-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

29
Patents

370.10526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 185.1
[M+Na]+ 393.09448 194.6
[M-H]- 369.09798 188.5
[M+NH4]+ 388.13908 194.4
[M+K]+ 409.06842 190.8
[M+H-H2O]+ 353.10252 177.7
[M+HCOO]- 415.10346 198.9
[M+CH3COO]- 429.11911 211.6
[M+Na-2H]- 391.07993 185.1
[M]+ 370.10471 187.9
[M]- 370.10581 187.9
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