| Properties | Image |
|---|
| MNX_ID | MNXM1368714 |
 |
| reference | metacycM:CPD-11792 |
| formula | C26H21N3O9 |
| global charge | 0 |
| mol weight | 519.466 |
| InChIKey | STGDXKGYPCZCLF-FKKAOLSPSA-N |
| InChI | InChI=1S/C26H21N3O9/c30-6-15-22(34)23(35)24(36)25(38-15)9-3-8-12(4-13(9)32)28-21-17(8)18-11(5-27-26(18)37)16-10-1-7(31)2-14(33)19(10)29-20(16)21/h1,4-5,9,15,22-25,28,30,32,34-36H,2-3,6H2/t9?,15-,22-,23+,24-,25+/m1/s1 |
| SMILES | O=C1C=C2C(=NC3=C4NC5=C(CC([C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=C5)C4=C4C(=O)N=CC4=C23)C(=O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H21N3O9/c30-6-15-22(34)23(35)24(36)25(38-15)9-3-8-12(4-13(9)32)28-21-17(8)18-11(5-27-26(18)37)16-10-1-7(31)2-14(33)19(10)29-20(16)21/h1,4-5,9,15,22-25,28,30,32,34-36H,2-3,6H2/t9?,15-,22-,23+,24-,25+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:10]2[C:16]3=[C:11]4[CH:5]=[N:27][C:26](=[O:37])[C:18]4=[C:17]4[C:8]5=[C:12]([CH:4]=[C:13]([OH:32])[CH:9]([C@H:25]6[C@H:24]([OH:36])[C@@H:23]([OH:35])[C@H:22]([OH:34])[C@@H:15]([CH2:6][OH:30])[O:38]6)[CH2:3]5)[NH:28][C:21]4=[C:20]3[N:29]=[C:19]2[C:14](=[O:33])[CH2:2][C:7]1=[O:31] |
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