CID 134815743

Aspulvinone r

Structural Information

Molecular Formula
C18H14O7
SMILES
COC1=CC(=CC(=C1O)O)/C=C\2/C(=C(C(=O)O2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C18H14O7/c1-24-13-7-9(6-12(20)16(13)21)8-14-17(22)15(18(23)25-14)10-2-4-11(19)5-3-10/h2-8,19-22H,1H3/b14-8-
InChIKey
MYJVNAXQWDAVRD-ZSOIEALJSA-N
Compound name
(5Z)-5-[(3,4-dihydroxy-5-methoxyphenyl)methylidene]-4-hydroxy-3-(4-hydroxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

342.07394 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 174.8
[M+Na]+ 365.06316 184.0
[M-H]- 341.06666 181.9
[M+NH4]+ 360.10776 186.3
[M+K]+ 381.03710 180.4
[M+H-H2O]+ 325.07120 168.1
[M+HCOO]- 387.07214 193.1
[M+CH3COO]- 401.08779 203.1
[M+Na-2H]- 363.04861 174.3
[M]+ 342.07339 176.9
[M]- 342.07449 176.9
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