| Properties | Image |
|---|
| MNX_ID | MNXM102106 |
 |
| reference | chebi:68270 |
| formula | C24H27NO9 |
| global charge | 0 |
| mol weight | 473.478 |
| InChIKey | YFIXEYMGWRRNJF-MCOUNYMXSA-N |
| InChI | InChI=1S/C24H27NO9/c1-22(6-5-15(28)25-16-12(26)4-3-11(17(16)29)20(31)32)18-14-7-10-8-24(18,9-13(27)19(22)30)21(33)23(10,2)34-14/h3-4,9-10,14,18,21,26-27,29,33H,5-8H2,1-2H3,(H,25,28)(H,31,32)/t10-,14+,18+,21+,22+,23-,24+/m1/s1 |
| SMILES | C[C@@]12O[C@H]3C[C@@H]1C[C@@]1(C=C(O)C(=O)[C@@](C)(CCC(=O)NC4=C(O)C=CC(C(=O)O)=C4O)[C@H]31)[C@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C24H27NO9/c1-22(6-5-15(28)25-16-12(26)4-3-11(17(16)29)20(31)32)18-14-7-10-8-24(18,9-13(27)19(22)30)21(33)23(10,2)34-14/h3-4,9-10,14,18,21,26-27,29,33H,5-8H2,1-2H3,(H,25,28)(H,31,32)/t10-,14+,18+,21+,22+,23-,24+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@:22]1([CH2:6][CH2:5][C:15](=[N:25][C:16]2=[C:12]([OH:26])[CH:4]=[CH:3][C:11]([C:20](=[O:31])[OH:32])=[C:17]2[OH:29])[OH:28])[C@@H:18]2[C@@H:14]3[CH2:7][C@@H:10]4[CH2:8][C@@:24]2([CH:9]=[C:13]([OH:27])[C:19]1=[O:30])[C@@H:21]([OH:33])[C@:23]4([CH3:2])[O:34]3 |
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