| Properties | Image |
|---|
| MNX_ID | MNXM1176695 |
 |
| reference | envipathM:...e469d1ce6e76 |
| formula | C21H25NO5 |
| global charge | 0 |
| mol weight | 371.433 |
| InChIKey | CDQFBKJKMXXBNF-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H25NO5/c1-20(27,22(2)3)19(26)21(18(25)17(24)14-23,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,19,23,26-27H,14H2,1-3H3 |
| SMILES | CN(C)C(C)(O)C(O)C(C(=O)C(=O)CO)(C1=CC=CC=C1)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H25NO5/c1-20(27,22(2)3)19(26)21(18(25)17(24)14-23,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,19,23,26-27H,14H2,1-3H3/t19?,20? |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH:19]([C:21]([C:15]1=[CH:10][CH:6]=[CH:4][CH:7]=[CH:11]1)([C:16]1=[CH:12][CH:8]=[CH:5][CH:9]=[CH:13]1)[C:18]([C:17]([CH2:14][OH:23])=[O:24])=[O:25])[OH:26])([N:22]([CH3:2])[CH3:3])[OH:27] |
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