epam / epam/Indigo

InChl generation for cyclical sugars produces incorrect m layer

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Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Summary**
Indigo generages in incorrect enantiomeric InChl

**Steps to Reproduce**
1. Draw α-D-glucopyranose (as shown in https://webbook.nist.gov/cgi/inchi?ID=C26655345)
2. Save as InChl

**Actual behavior**
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m0/s1

**Expected behavior**
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1

m layer is incorrect

**Environment details:**
Runtime:
Node.js: v22.16.0
npm: 11.4.1

Backend:
Express 4.x, TypeScript 5.7, ESM
Prisma 6.3 (PostgreSQL on Railway)
tsx (dev server)

Frontend:
React 18.3, Vite 6.0, TypeScript 5.7
Ketcher 3.12.0 (ketcher-react + ketcher-core)
TanStack Query 5.x, React Router 7.x

**Attachments**

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**Additional context**
Add any other context about the problem here.

Contributor guide

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Research direction

Reproduce the α-D-glucopyranose case from the issue and compare the generated InChI with the NIST reference. The payload names no source file or test, so locate the cyclical-sugar stereochemistry and InChI generation entry points first. Done means the generated result has the expected m1 layer without regressing other stereochemical cases.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
backend
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Quiet
Clarity
Mostly clear
Newbie friendliness
45/100

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