| Properties | Image |
| MNX_ID | MNXM12478 |
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| reference | chebi:81644 |
| formula | C19H18NO8S* |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]SC(=O)CC(=O)CC(=O)CC1=CC=CC(O)=C1C(=O)CC(=O)CC(=O)CC(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C20H21NO8S/c1-30-19(29)10-15(25)6-12(22)5-11-3-2-4-16(26)20(11)17(27)8-13(23)7-14(24)9-18(21)28/h2-4,26H,5-10H2,1H3,(H2,21,28)/i1+1 |
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| SMILES (mnx) | [13CH3:1][S:30][C:19]([CH2:10][C:15]([CH2:6][C:12]([CH2:5][C:11]1=[C:20]([C:17]([CH2:8][C:13]([CH2:7][C:14]([CH2:9][C:18](=[NH:21])[OH:28])=[O:24])=[O:23])=[O:27])[C:16]([OH:26])=[CH:4][CH:2]=[CH:3]1)=[O:22])=[O:25])=[O:29] |
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