CID 135430323

Resistomycin

Structural Information

Molecular Formula
C22H16O6
SMILES
CC1=CC(=O)C2=C(C3=C4C5=C2C1=C(C=C5C(C(=C4C(=O)C=C3O)O)(C)C)O)O
InChI
InChI=1S/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,24-25,27-28H,1-3H3
InChIKey
MJKDGCARCYPVQG-UHFFFAOYSA-N
Compound name
6,10,14,19-tetrahydroxy-4,9,9-trimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),3,5,7,10,13,15,17-octaene-2,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

477
Patents

376.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10198 189.3
[M+Na]+ 399.08392 203.2
[M-H]- 375.08742 192.0
[M+NH4]+ 394.12852 206.4
[M+K]+ 415.05786 198.2
[M+H-H2O]+ 359.09196 181.4
[M+HCOO]- 421.09290 202.1
[M+CH3COO]- 435.10855 199.9
[M+Na-2H]- 397.06937 195.7
[M]+ 376.09415 198.6
[M]- 376.09525 198.6
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