Figure 5 : Inconsistency in cis- and trans- configuration.

From: Automated evaluation of consistency within the PubChem Compound database

Figure 5

Representation of the 3D structure archived for the PubChem entry CID 1551886, which shows a defined stereochemistry about the double bond between C8 and N18. However, the InChI string archived for this entry “InChI = 1 S/C17H10N4O7S2/c22-13-3-1-11(20(25)26)5-9(13)7-15-16(24)19(17(29)30-15)18-8-10-6-12(21(27)28)2-4-14(10)23/h1-8,22-23 H/p-2/b15-7-,18-8?” denotes an ambiguous orientation around the double bond between C8 and N18. As a result, the InChI string generated from the structure by ALATIS failed to match the archived InChI string.