CID 10044783

Averantin

Structural Information

Molecular Formula
C20H20O7
SMILES
CCCCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O
InChI
InChI=1S/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/t12-/m0/s1
InChIKey
WGPOPPKSQRZUTP-LBPRGKRZSA-N
Compound name
1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxyhexyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

28
Patents

372.1209 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.128176 183.7
[M+Na]+ 395.110118 191.8
[M-H]- 371.113624 183.2
[M+NH4]+ 390.154723 195.2
[M+K]+ 411.084058 187.3
[M+H-H2O]+ 355.118160 177.6
[M+HCOO]- 417.119101 195.2
[M+CH3COO]- 431.134751 213.9
[M+Na-2H]- 393.095566 183.2
[M]+ 372.12035142 185.9
[M]- 372.12144858 185.9
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