| Properties | Image |
|---|
| MNX_ID | MNXM168303 |
 |
| reference | metacycM:CPD-19415 |
| formula | C24H27NO9 |
| global charge | 0 |
| mol weight | 473.478 |
| InChIKey | YKHPVCQWMSOJBO-AJHFTWGYSA-N |
| InChI | InChI=1S/C24H27NO9/c1-8-16-19(24-14(32-8)7-15(27)34-24)23(31)17-12(26)5-10(21(29)18(17)22(16)30)13-6-11(25(3)4)20(28)9(2)33-13/h5,8-9,11,13-14,20,24,28,30-31H,6-7H2,1-4H3/t8-,9-,11?,13?,14-,20-,24+/m1/s1 |
| SMILES | C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(O)=C1C(=O)C(C3CC(N(C)C)[C@H](O)[C@@H](C)O3)=CC(=O)C1=C2O |
MNX internals
| InChI (mnx) | InChI=1/C24H27NO9/c1-8-16-19(24-14(32-8)7-15(27)34-24)23(31)17-12(26)5-10(21(29)18(17)22(16)30)13-6-11(25(3)4)20(28)9(2)33-13/h5,8-9,11,13-14,20,24,28,30-31H,6-7H2,1-4H3/t8-,9-,11?,13?,14-,20-,24+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:8]1[C:16]2=[C:22]([OH:30])[C:18]3=[C:17]([C:12](=[O:26])[CH:5]=[C:10]([CH:13]4[CH2:6][CH:11]([N:25]([CH3:3])[CH3:4])[C@H:20]([OH:28])[C@@H:9]([CH3:2])[O:33]4)[C:21]3=[O:29])[C:23]([OH:31])=[C:19]2[C@@H:24]2[C@@H:14]([CH2:7][C:15](=[O:27])[O:34]2)[O:32]1 |
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