| Properties | Image |
|---|
| MNX_ID | MNXM105563 |
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| reference | chebi:67732 |
| formula | C25H37NO4 |
| global charge | 0 |
| mol weight | 415.574 |
| InChIKey | DHMXAXCAWHUFET-HVFQXGRFSA-N |
| InChI | InChI=1S/C25H37NO4/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-22(30-25(20)29)21-16-23(27)26-24(21)28/h8,10,12,14,21-22,25,29H,5-7,9,11,13,15-16H2,1-4H3,(H,26,27,28)/b18-10+,19-12+/t21-,22+,25-/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1=CC[C@H]([C@@H]2CC(=O)NC2=O)O[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H37NO4/c1-17(2)8-5-9-18(3)10-6-11-19(4)12-7-13-20-14-15-22(30-25(20)29)21-16-23(27)26-24(21)28/h8,10,12,14,21-22,25,29H,5-7,9,11,13,15-16H2,1-4H3,(H,26,27,28)/b18-10+,19-12+/t21-,22+,25-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]([CH3:2])=[CH:8][CH2:5][CH2:9]/[C:18]([CH3:3])=[CH:10]/[CH2:6][CH2:11]/[C:19]([CH3:4])=[CH:12]/[CH2:7][CH2:13][C:20]1=[CH:14][CH2:15][C@H:22]([C@@H:21]2[CH2:16][C:23]([OH:27])=[N:26][C:24]2=[O:28])[O:30][C@@H:25]1[OH:29] |
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