CID 131753025

(e)-antibiotic be 23372m

Structural Information

Molecular Formula
C17H12O6
SMILES
C1=CC(=C(C=C1C2=C/C(=C/C3=CC(=CC(=C3)O)O)/C(=O)O2)O)O
InChI
InChI=1S/C17H12O6/c18-12-4-9(5-13(19)8-12)3-11-7-16(23-17(11)22)10-1-2-14(20)15(21)6-10/h1-8,18-21H/b11-3-
InChIKey
NKCVEROYQKLTRJ-JYOAFUTRSA-N
Compound name
(3Z)-5-(3,4-dihydroxyphenyl)-3-[(3,5-dihydroxyphenyl)methylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 167.8
[M+Na]+ 335.05262 177.0
[M-H]- 311.05612 174.7
[M+NH4]+ 330.09722 180.4
[M+K]+ 351.02656 172.7
[M+H-H2O]+ 295.06066 161.4
[M+HCOO]- 357.06160 186.4
[M+CH3COO]- 371.07725 196.3
[M+Na-2H]- 333.03807 168.3
[M]+ 312.06285 167.7
[M]- 312.06395 167.7
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.