| Properties | Image |
|---|
| MNX_ID | MNXM1582419 |
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| reference | vmhM:fecrm
vmhM:fecrm |
| formula | C27H45FeN9O12 |
| global charge | 0 |
| mol weight | 743.553 |
| InChIKey | LHZIYYYBLRZXMR-KVLUUAJQSA-N |
| InChI | InChI=1S/C27H45N9O12.Fe/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h16-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-6;+6/t16-,17-,18+,19?,20?,21?;/m0./s1 |
| SMILES | C[C@H]([O-])N([O-])CCCC1N=C(O)CN=C(O)CN=C(O)CN=C(O)C(CCCN([O-])[C@H](C)[O-])N=C(O)C(CCCN([O-])[C@@H](C)[O-])N=C1O.[Fe+6] |
MNX internals
| InChI (mnx) | InChI=1/C27H51N9O12.Fe/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h16-21,37-39,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q;+6/t16-,17-,18+,19?,20?,21?;/m0./s1 |
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| SMILES (mnx) | [CH3:1][C@@H:16]([N:34]([CH2:10][CH2:4][CH2:7][CH:19]1[C:25]([OH:43])=[N:30][CH2:14][C:23]([OH:41])=[N:28][CH2:13][C:22]([OH:40])=[N:29][CH2:15][C:24]([OH:42])=[N:31][CH:20]([CH2:8][CH2:5][CH2:11][N:35]([C@H:17]([CH3:2])[OH:38])[OH:47])[C:26]([OH:44])=[N:33][CH:21]([CH2:9][CH2:6][CH2:12][N:36]([C@@H:18]([CH3:3])[OH:39])[OH:48])[C:27]([OH:45])=[N:32]1)[OH:46])[OH:37].[Fe+6:49] |
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