| Properties | Image |
MNX_ID | MNXM114045 |
 |
reference | chebi:66506 |
formula | C14H21NO8 |
global charge | 0 |
mol weight | 331.321 |
InChIKey | XDRANPRXTFIDRB-RGCYKPLRSA-N |
InChI | InChI=1S/C14H21NO8/c1-15-4-6-2-7(17)3-8(10(6)18)22-14-13(21)12(20)11(19)9(5-16)23-14/h2-3,9,11-21H,4-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1 |
SMILES | CNCC1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C14H21NO8/c1-15-4-6-2-7(17)3-8(10(6)18)22-14-13(21)12(20)11(19)9(5-16)23-14/h2-3,9,11-21H,4-5H2,1H3/t9-,11-,12+,13-,14-/m1/s1 |
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SMILES (mnx) | [CH3:1][NH:15][CH2:4][C:6]1=[CH:2][C:7]([OH:17])=[CH:3][C:8]([O:22][C@H:14]2[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:11]([OH:19])[C@@H:9]([CH2:5][OH:16])[O:23]2)=[C:10]1[OH:18] |
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