| Properties | Image |
|---|
| MNX_ID | MNXM108060 |
 |
| reference | chebi:68252 |
| formula | C25H29NO7 |
| global charge | 0 |
| mol weight | 455.507 |
| InChIKey | AWKBYGDVFUXVBB-OUBSXGCGSA-N |
| InChI | InChI=1S/C25H29NO7/c1-13-11-25-9-6-19(29)24(2,18(25)10-15(13)17(28)12-25)8-7-20(30)26-21-16(27)5-4-14(22(21)31)23(32)33-3/h4-6,9,15,17-18,27-28,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t15-,17-,18-,24-,25+/m0/s1 |
| SMILES | C=C1C[C@@]23C=CC(=O)[C@@](C)(CCC(=O)NC4=C(O)C=CC(C(=O)OC)=C4O)[C@@H]2C[C@@H]1[C@@H](O)C3 |
MNX internals
| InChI (mnx) | InChI=1/C25H29NO7/c1-13-11-25-9-6-19(29)24(2,18(25)10-15(13)17(28)12-25)8-7-20(30)26-21-16(27)5-4-14(22(21)31)23(32)33-3/h4-6,9,15,17-18,27-28,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t15-,17?,18-,24-,25+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:13]1[CH2:11][C@@:25]23[CH:9]=[CH:6][C:19](=[O:29])[C@@:24]([CH3:2])([CH2:8][CH2:7][C:20](=[N:26][C:21]4=[C:16]([OH:27])[CH:5]=[CH:4][C:14]([C:23](=[O:32])[O:33][CH3:3])=[C:22]4[OH:31])[OH:30])[C@@H:18]2[CH2:10][C@@H:15]1[C@H:17]([OH:28])[CH2:12]3 |
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