| Properties | Image |
|---|
| MNX_ID | MNXM108069 |
 |
| reference | chebi:68243 |
| formula | C25H29NO8 |
| global charge | 0 |
| mol weight | 471.506 |
| InChIKey | DNQXWIUWKPRGGF-OHIQKDTISA-N |
| InChI | InChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-25-11-12-10-15(20(23)25)34-24(12,2)22(25)32/h4-6,9,12,15,20,22,27,30,32H,7-8,10-11H2,1-3H3,(H,26,29)/t12-,15+,20+,22+,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@H]5C[C@H](O[C@@]5(C)[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)5-4-13(19(18)30)21(31)33-3)16(28)6-9-25-11-12-10-15(20(23)25)34-24(12,2)22(25)32/h4-6,9,12,15,20,22,27,30,32H,7-8,10-11H2,1-3H3,(H,26,29)/t12-,15+,20+,22+,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:13]([C:21](=[O:31])[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@H:12]4[CH2:10][C@@H:15]([C@@H:20]12)[O:34][C@@:24]4([CH3:2])[C@@H:22]3[OH:32] |
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