Mercurial > repos > tduigou > retropath2

annotate test-data/source_inchi.txt @ 12:da083c323f5c draft default tip

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planemo upload for repository https://github.com/brsynth/retropath2_wrapper commit 96a30e92eab3144b924fdba7b63be10b218160a7
author tduigou
date Wed, 24 Jul 2024 08:41:51 +0000
parents d3f66245c4a6
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
1
d3f66245c4a6 "planemo upload commit 2f1af427fa4c4f2aad53ab94c4cdb51456c66019-dirty"
tduigou
parents:
diff changeset
1 lycopene:
d3f66245c4a6 "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+