| Properties | Image |
|---|
| MNX_ID | MNXM108080 |
 |
| reference | chebi:68237 |
| formula | C25H29NO7 |
| global charge | 0 |
| mol weight | 455.507 |
| InChIKey | BLKSEVPCJYYCLH-USZGVGCCSA-N |
| InChI | InChI=1S/C25H29NO7/c1-23(8-7-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32-3)17(28)6-9-25-11-13-10-16(21(23)25)33-24(13,2)12-25/h4-6,9,13,16,21,27,30H,7-8,10-12H2,1-3H3,(H,26,29)/t13-,16+,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@H]5C[C@H](O[C@@]5(C)C3)[C@H]42)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H29NO7/c1-23(8-7-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32-3)17(28)6-9-25-11-13-10-16(21(23)25)33-24(13,2)12-25/h4-6,9,13,16,21,27,30H,7-8,10-12H2,1-3H3,(H,26,29)/t13-,16+,21+,23-,24+,25+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:23]1([CH2:8][CH2:7][C:18](=[N:26][C:19]2=[C:15]([OH:27])[CH:5]=[CH:4][C:14]([C:22](=[O:31])[O:32][CH3:3])=[C:20]2[OH:30])[OH:29])[C:17](=[O:28])[CH:6]=[CH:9][C@@:25]23[CH2:11][C@H:13]4[CH2:10][C@@H:16]([C@@H:21]12)[O:33][C@@:24]4([CH3:2])[CH2:12]3 |
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