| Properties | Image |
| MNX_ID | MNXM740190 |
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| reference | keggC:C03799 |
| formula | C16H29O9P |
| global charge | 0 |
| mol weight | 396.373 |
| InChIKey | AROVEDSNJVIDDK-KZLBPRFTSA-N |
| InChI | InChI=1S/C16H29O9P/c1-10(2)5-4-6-11(3)7-8-23-26(21,22)25-16-15(20)14(19)13(18)12(9-17)24-16/h5,7,12-20H,4,6,8-9H2,1-3H3,(H,21,22)/b11-7+/t12-,13-,14+,15-,16+/m1/s1 |
| SMILES | CC(C)=CCC/C(C)=C/COP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C16H29O9P/c1-10(2)5-4-6-11(3)7-8-23-26(21,22)25-16-15(20)14(19)13(18)12(9-17)24-16/h5,7,12-20H,4,6,8-9H2,1-3H3,(H,21,22)/b11-7+/t12-,13-,14+,15-,16+/m1/s1 |
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| SMILES (mnx) | [C@@H:1]1([CH2:7][CH3:8])[C@@H:2]([CH3:11])[C@H:3]([CH3:10])[CH:4]([CH3:12])[C@@H:5]([CH2:9][C:13]([CH2:14][O:17]/[O:18]=[O:19](\[O:20][O:21]/[O:22]=[O:23](\[OH:24])[PH2:26])[OH:25])(=[CH2:15])[CH3:16])[CH2:6]1 |
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