| Properties | Image |
|---|
| MNX_ID | MNXM108070 |
 |
| reference | chebi:68261 |
| formula | C25H29NO8 |
| global charge | 0 |
| mol weight | 471.506 |
| InChIKey | CSEORCWUBZJLKU-DORBYWMYSA-N |
| InChI | InChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-12(19(18)30)22(32)33-3)16(28)6-9-25-11-24(2)13(21(25)31)10-15(34-24)20(23)25/h4-6,9,13,15,20-21,27,30-31H,7-8,10-11H2,1-3H3,(H,26,29)/t13-,15+,20+,21-,23-,24+,25+/m1/s1 |
| SMILES | COC(=O)C1=C(O)C(NC(=O)CC[C@]2(C)C(=O)C=C[C@@]34C[C@]5(C)O[C@@H](C[C@@H]5[C@H]3O)[C@H]42)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-12(19(18)30)22(32)33-3)16(28)6-9-25-11-24(2)13(21(25)31)10-15(34-24)20(23)25/h4-6,9,13,15,20-21,27,30-31H,7-8,10-11H2,1-3H3,(H,26,29)/t13-,15+,20+,21-,23-,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:23]1([CH2:8][CH2:7][C:17](=[N:26][C:18]2=[C:14]([OH:27])[CH:5]=[CH:4][C:12]([C:22](=[O:32])[O:33][CH3:3])=[C:19]2[OH:30])[OH:29])[C:16](=[O:28])[CH:6]=[CH:9][C@:25]23[CH2:11][C@@:24]4([CH3:2])[C@H:13]([CH2:10][C@@H:15]([C@@H:20]12)[O:34]4)[C@H:21]3[OH:31] |
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