| Properties | Image |
MNX_ID | MNXM819668 |
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reference | sabiorkM:30016 |
formula | C10H19NO10 |
global charge | 0 |
mol weight | 313.259 |
InChIKey | MDNYXAIUKOODQT-OCOFDJSDSA-N |
InChI | InChI=1S/C6H13NO5.C4H6O5/c7-3-5(10)4(9)2(1-8)12-6(3)11;5-2(4(8)9)1-3(6)7/h2-6,8-11H,1,7H2;2,5H,1H2,(H,6,7)(H,8,9)/t2-,3-,4-,5-,6-;/m1./s1 |
SMILES | N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C(O)CC(O)C(=O)O |
MNX internals
InChI (mnx) | InChI=1/C6H13NO5.C4H6O5/c7-3-5(10)4(9)2(1-8)12-6(3)11;5-2(4(8)9)1-3(6)7/h2-6,8-11H,1,7H2;2,5H,1H2,(H,6,7)(H,8,9)/t2-,3-,4-,5-,6-;2?/m1./s1 |
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SMILES (mnx) | [CH2:13]([CH:14]([C:16](=[O:20])[OH:21])[OH:17])[C:15](=[O:18])[OH:19].[CH2:1]([C@@H:2]1[C@@H:4]([OH:9])[C@H:5]([OH:10])[C@@H:3]([NH2:7])[C@H:6]([OH:11])[O:12]1)[OH:8] |
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