| Properties | Image |
|---|
| MNX_ID | MNXM106290 |
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| reference | chebi:69642 |
| formula | C26H31NO13 |
| global charge | 0 |
| mol weight | 565.528 |
| InChIKey | SQWBLOVFMFTTHY-CUQQVVPFSA-N |
| InChI | InChI=1S/C26H31NO13/c1-2-15-16(6-5-13-8-14(23(34)35)10-27(9-13)7-3-4-19(29)30)17(24(36)37)12-38-25(15)40-26-22(33)21(32)20(31)18(11-28)39-26/h2,5-6,8-10,12,15-16,18,20-22,25-26,28,31-33H,1,3-4,7,11H2,(H2-,29,30,34,35,36,37)/b6-5+/t15-,16+,18-,20-,21+,22-,25+,26+/m1/s1 |
| SMILES | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1/C=C/C1=C[N+](CCCC(=O)O)=CC(C(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H31NO13/c1-2-15-16(6-5-13-8-14(23(34)35)10-27(9-13)7-3-4-19(29)30)17(24(36)37)12-38-25(15)40-26-22(33)21(32)20(31)18(11-28)39-26/h2,5-6,8-10,12,15-16,18,20-22,25-26,28,31-33H,1,3-4,7,11H2,(H2-,29,30,34,35,36,37)/b6-5+/t15-,16+,18-,20-,21+,22-,25+,26+/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:2][C@@H:15]1[C@H:16](/[CH:6]=[CH:5]/[C:13]2=[CH:8][C:14]([C:23](=[O:34])[OH:35])=[CH:10][N+:27]([CH2:7][CH2:3][CH2:4][C:19](=[O:29])[OH:30])=[CH:9]2)[C:17]([C:24](=[O:36])[O-:37])=[CH:12][O:38][C@H:25]1[O:40][C@H:26]1[C@H:22]([OH:33])[C@@H:21]([OH:32])[C@H:20]([OH:31])[C@@H:18]([CH2:11][OH:28])[O:39]1 |
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