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9'-hydroxy-aurachin D
MNXM147887 is deprecated and replaced by MNXM1100788
| Properties | Image |
|---|
| MNX_ID | MNXM1100788 |
 |
| reference | metacycM:CPD-15908 |
| formula | C25H33NO2 |
| global charge | 0 |
| mol weight | 379.544 |
| InChIKey | ODRSQPIWTIGZOH-VAKGXLRMSA-N |
| InChI | InChI=1S/C25H33NO2/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26-24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27H,8-9,14,16H2,1-5H3,(H,26,28)/b18-13+,19-10+ |
| SMILES | CC(C)=CC(O)C/C(C)=C/CC/C(C)=C/CC1=C(C)NC2=C(C=CC=C2)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C25H33NO2/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26-24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27H,8-9,14,16H2,1-5H3,(H,26,28)/b18-13+,19-10+/t21? |
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| SMILES (mnx) | [CH3:1][C:17]([CH3:2])=[CH:15][CH:21]([CH2:16]/[C:19]([CH3:4])=[CH:10]/[CH2:8][CH2:9]/[C:18]([CH3:3])=[CH:13]/[CH2:14][C:22]1=[C:20]([CH3:5])[NH:26][C:24]2=[CH:12][CH:7]=[CH:6][CH:11]=[C:23]2[C:25]1=[O:28])[OH:27] |
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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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