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]+ 313.070676 167.8
[M+Na]+ 335.052618 177.0
[M-H]- 311.056124 174.7
[M+NH4]+ 330.097223 180.4
[M+K]+ 351.026558 172.7
[M+H-H2O]+ 295.060660 161.4
[M+HCOO]- 357.061601 186.4
[M+CH3COO]- 371.077251 196.3
[M+Na-2H]- 333.038066 168.3
[M]+ 312.06285142 167.7
[M]- 312.06394858 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.