Molecule:100799: Difference between revisions
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molecule
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{{ | {{MoleculeCollection | ||
|trivialname= | |trivialname= | ||
|abbrev= | |abbrev= | ||
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|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey= | |moleculeKey=N123CCS4CC5C=C(CN6[Co+2]78N9CC%10C=C(C=CC=%10)CS([*]14S(CC1C=CC=C(CN7CCN8(CC6)CC9)C=1)CC2)CC3)C=CC=5r1 | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-02272416142D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 14: | Line 14: | ||
M V30 COUNTS 46 56 0 0 0 | M V30 COUNTS 46 56 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 N 3.4 -5.925 0.0 0 | M V30 1 N 3.4 -5.925 0.0 0 CFG=1 | ||
M V30 2 C 2.9 -6.79103 0.0 0 | M V30 2 C 2.9 -6.79103 0.0 0 | ||
M V30 3 C 3.4 -7.65705 0.0 0 | M V30 3 C 3.4 -7.65705 0.0 0 | ||
M V30 4 S 4.4 -7.65705 0.0 0 | M V30 4 S 4.4 -7.65705 0.0 0 | ||
M V30 5 | M V30 5 R# 4.84093 -5.41618 0.0 0 RGROUPS=(1 1) | ||
M V30 6 C 2.53397 -6.425 0.0 0 | M V30 6 C 2.53397 -6.425 0.0 0 | ||
M V30 7 C 2.9 -5.05897 0.0 0 | M V30 7 C 2.9 -5.05897 0.0 0 | ||
| Line 25: | Line 25: | ||
M V30 10 C 3.4749 -6.75882 0.0 0 | M V30 10 C 3.4749 -6.75882 0.0 0 | ||
M V30 11 S 4.19093 -6.35882 0.0 0 | M V30 11 S 4.19093 -6.35882 0.0 0 | ||
M V30 12 N 10.0239 -5.875 0.0 0 | M V30 12 N 10.0239 -5.875 0.0 0 CFG=1 | ||
M V30 13 C 10.4818 -6.84981 0.0 0 | M V30 13 C 10.4818 -6.84981 0.0 0 | ||
M V30 14 C 9.99888 -7.57462 0.0 0 | M V30 14 C 9.99888 -7.57462 0.0 0 | ||
| Line 119: | Line 119: | ||
M V30 56 1 46 15 | M V30 56 1 46 15 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 BEGIN COLLECTION | |||
M V30 MDLV30/STEABS ATOMS=(2 1 12) | |||
M V30 END COLLECTION | |||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=N123CCS4CC5C=C(CN6[Co+2]78N9CC%10C=C(C=CC=%10)CS([ | |||
|inchi= | |smiles=N123CCS4CC5C=C(CN6[Co+2]78N9CC%10C=C(C=CC=%10)CS([*]14S(CC1C=CC=C(CN7CCN8(CC6)CC9)C=1)CC2)CC3)C=CC=5 | ||
|inchikey= | |inchi= | ||
|inchikey= | |||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Revision as of 16:15, 27 February 2024
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