| Properties | Image |
|---|
| MNX_ID | MNXM1130466 |
 |
| reference | lipidmapsM:LMFA02020210 |
| formula | C21H27NO5 |
| global charge | 0 |
| mol weight | 373.449 |
| InChIKey | SLWSWKGGZQCLDU-WHHQMRSUSA-N |
| InChI | InChI=1S/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3-/t15-,17-,18+/m1/s1 |
| SMILES | CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H27NO5/c1-2-3-4-5-17-15(8-11-19(17)24)13-20(25)22-18(21(26)27)12-14-6-9-16(23)10-7-14/h3-4,6-7,9-10,15,17-18,23H,2,5,8,11-13H2,1H3,(H,22,25)(H,26,27)/b4-3-/t15-,17-,18+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][C@@H:17]1[C@@H:15]([CH2:13][C:20](=[N:22][C@@H:18]([CH2:12][C:14]2=[CH:7][CH:10]=[C:16]([OH:23])[CH:9]=[CH:6]2)[C:21](=[O:26])[OH:27])[OH:25])[CH2:8][CH2:11][C:19]1=[O:24] |
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