| Properties | Image |
MNX_ID | MNXM727045 |
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reference | biggM:fe3dhbzs |
formula | C10H10FeNO6 |
global charge | 1 |
mol weight | 296.036 |
InChIKey | UTKCEBPCDKRHBM-UHFFFAOYSA-M |
InChI | InChI=1S/C10H11NO6.Fe/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14;/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17);/q;+2/p-1 |
SMILES | O=C(NC(CO)C(=O)[O-])C1=C(O)C(O)=CC=C1.[Fe+2] |
MNX internals
InChI (mnx) | InChI=1/C10H11NO6.Fe/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14;/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17);/q;+2/t6?; |
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SMILES (mnx) | [CH:1]1=[CH:2][C:5]([C:9](=[N:11][CH:6]([CH2:4][OH:12])[C:10](=[O:16])[OH:17])[OH:15])=[C:8]([OH:14])[C:7]([OH:13])=[CH:3]1.[Fe+2:18] |
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