CID 10672572

Garciduol c

Structural Information

Molecular Formula
C27H18O9
SMILES
COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O)C3=CC(=C(C4=C3OC5=C(C4=O)C=CC=C5O)O)O
InChI
InChI=1S/C27H18O9/c1-35-18-11-16(29)20(22(31)12-6-3-2-4-7-12)25(34)19(18)14-10-17(30)24(33)21-23(32)13-8-5-9-15(28)26(13)36-27(14)21/h2-11,28-30,33-34H,1H3
InChIKey
HPYVBXILLKDBSO-UHFFFAOYSA-N
Compound name
4-(3-benzoyl-2,4-dihydroxy-6-methoxyphenyl)-1,2,5-trihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.0951 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.10238 213.8
[M+Na]+ 509.08432 223.4
[M-H]- 485.08782 221.7
[M+NH4]+ 504.12892 218.2
[M+K]+ 525.05826 221.2
[M+H-H2O]+ 469.09236 202.9
[M+HCOO]- 531.09330 226.8
[M+CH3COO]- 545.10895 221.8
[M+Na-2H]- 507.06977 215.2
[M]+ 486.09455 219.8
[M]- 486.09565 219.8
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

No patent data available for this compound.