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
3
Annotation Hits

44
References

516
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.