CID 10089584

Uct1072m1

Structural Information

Molecular Formula
C18H12O8
SMILES
C1[C@H]([C@H]2[C@@H](O1)OC3=C2C(=C4C(=C3)C(=O)C5=C(C4=O)C(=CC(=C5)O)O)O)O
InChI
InChI=1S/C18H12O8/c19-5-1-6-11(8(20)2-5)16(23)12-7(15(6)22)3-10-14(17(12)24)13-9(21)4-25-18(13)26-10/h1-3,9,13,18-21,24H,4H2/t9-,13-,18+/m1/s1
InChIKey
IFLIXVQEIAPBAO-YYBHTSLMSA-N
Compound name
(4S,5S,8S)-2,5,16,18-tetrahydroxy-7,9-dioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),11,14(19),15,17-hexaene-13,20-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.05322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06050 175.7
[M+Na]+ 379.04244 186.7
[M+NH4]+ 374.08704 182.0
[M+K]+ 395.01638 187.7
[M-H]- 355.04594 178.0
[M+Na-2H]- 377.02789 172.2
[M]+ 356.05267 177.6
[M]- 356.05377 177.6
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

No patent data available for this compound.