| Properties | Image |
|---|
| MNX_ID | MNXM102006 |
 |
| reference | chebi:69415 |
| formula | C23H31NO12 |
| global charge | 0 |
| mol weight | 513.496 |
| InChIKey | STCSTCYFNDYMLS-CXUMOKCHSA-N |
| InChI | InChI=1S/C23H31NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,9,13-21,23,25-31H,7H2,1-2H3,(H,24,32)/b8-5+/t9-,13+,14-,15+,16+,17-,18-,19+,20-,21+,23+/m0/s1 |
| SMILES | C/C(=C\C1=CC(O)=C(O[C@@H]2O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)C=C1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H31NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,9,13-21,23,25-31H,7H2,1-2H3,(H,24,32)/b8-5+/t9-,13+,14-,15+,16+,17-,18-,19+,20-,21+,23+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8](=[CH:5]\[C:10]1=[CH:6][C:11]([OH:26])=[C:12]([O:35][C@H:23]2[C@@H:18]([OH:31])[C@H:17]([OH:30])[C@@H:19]([C@H:9]([CH3:2])[OH:25])[O:36]2)[CH:4]=[CH:3]1)/[C:22](=[N:24]/[C@@H:13]1[C@H:14]([OH:27])[C@@H:16]([OH:29])[C@@H:21]2[C@H:20]([C@@H:15]1[OH:28])[O:33][CH2:7][O:34]2)[OH:32] |
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