CID 14077325

Hydroxyversicolorone(1-)

Structural Information

Molecular Formula
C20H16O8
SMILES
CC(=O)CCC1C(OC2=C1C(=C3C(=C2)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)O
InChI
InChI=1S/C20H16O8/c1-7(21)2-3-9-15-13(28-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3
InChIKey
JGXCLZAVTLWCBF-UHFFFAOYSA-N
Compound name
2,4,6,8-tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

384.0845 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09178 183.4
[M+Na]+ 407.07372 192.9
[M-H]- 383.07722 186.3
[M+NH4]+ 402.11832 196.4
[M+K]+ 423.04766 189.7
[M+H-H2O]+ 367.08176 178.5
[M+HCOO]- 429.08270 194.6
[M+CH3COO]- 443.09835 217.9
[M+Na-2H]- 405.05917 183.4
[M]+ 384.08395 187.4
[M]- 384.08505 187.4
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.