Mercurial > repos > tduigou > retropath2

annotate test-data/source_inchi.txt @ 14:1edb49dfa335 draft default tip

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planemo upload for repository https://github.com/brsynth/retropath2_wrapper commit 4f228a8dcee36f8c5282ff3e30f67a87254a2837-dirty
author tduigou
date Thu, 09 Oct 2025 09:50:03 +0000
parents 86dee3351942
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
2
86dee3351942 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
tduigou
parents:
diff changeset
1 lycopene:
86dee3351942 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
tduigou
parents:
diff changeset
2 InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+