| Properties | Image |
MNX_ID | MNXM168169 |
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reference | sabiorkM:28318 |
formula | C9H12NO6P |
global charge | 0 |
mol weight | 261.17 |
InChIKey | HBOCNGZYIAZFSU-QMMMGPOBSA-N |
InChI | InChI=1S/C9H12NO6P/c11-7-3-1-6(2-4-7)5-8(9(12)13)10-17(14,15)16/h1-4,8,11H,5H2,(H,12,13)(H3,10,14,15,16)/t8-/m0/s1 |
SMILES | O=C(O)[C@H](CC1=CC=C(O)C=C1)NP(=O)(O)O |
MNX internals
InChI (mnx) | InChI=1/C9H12NO6P/c11-7-3-1-6(2-4-7)5-8(9(12)13)10-17(14,15)16/h1-4,8,11H,5H2,(H,12,13)(H3,10,14,15,16)/t8-/m0/s1 |
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SMILES (mnx) | [CH:1]1=[CH:3][C:7]([OH:11])=[CH:4][CH:2]=[C:6]1[CH2:5][C@@H:8]([C:9](=[O:12])[OH:13])[NH:10][P:17]([OH:14])([OH:15])=[O:16] |
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