CID 123677

Fluorescein glucuronide

Structural Information

Molecular Formula
C26H20O11
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
InChI
InChI=1S/C26H20O11/c27-11-5-7-15-17(9-11)35-18-10-12(34-25-21(30)19(28)20(29)22(36-25)23(31)32)6-8-16(18)26(15)14-4-2-1-3-13(14)24(33)37-26/h1-10,19-22,25,27-30H,(H,31,32)/t19-,20-,21+,22-,25+,26?/m0/s1
InChIKey
RSSKCAKCONQQRX-XADSOVDISA-N
Compound name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)oxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

37
Patents

508.10056 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.10784 213.9
[M+Na]+ 531.08978 225.2
[M+NH4]+ 526.13438 219.2
[M+K]+ 547.06372 223.0
[M-H]- 507.09328 219.7
[M+Na-2H]- 529.07523 213.3
[M]+ 508.10001 217.0
[M]- 508.10111 217.0
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