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chrysanthemyl diphosphate
MNXM3767 is deprecated and here replaced by MNXM735086
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM735086 |
 |
| reference | chebi:50272 |
| formula | C10H20O7P2 |
| global charge | 0 |
| mol weight | 314.211 |
| InChIKey | AORLUAKWVIEOLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13) |
| SMILES | CC(C)=CC1C(COP(=O)(O)OP(=O)(O)O)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C10H20O7P2/c1-7(2)5-8-9(10(8,3)4)6-16-19(14,15)17-18(11,12)13/h5,8-9H,6H2,1-4H3,(H,14,15)(H2,11,12,13)/t8?,9? |
 |
| SMILES (mnx) | [CH3:1][C:7]([CH3:2])=[CH:5][CH:8]1[CH:9]([CH2:6][O:16][P:19]([OH:14])(=[O:15])[O:17][P:18]([OH:11])([OH:12])=[O:13])[C:10]1([CH3:3])[CH3:4] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
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