| Properties | Image |
|---|
| MNX_ID | MNXM106299 |
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| reference | chebi:69651 |
| formula | C25H31NO11 |
| global charge | 0 |
| mol weight | 521.519 |
| InChIKey | UEEFSWPSRLSUQJ-NOMYRAODSA-N |
| InChI | InChI=1S/C25H31NO11/c1-2-15-16(8-7-14-5-3-9-26(11-14)10-4-6-19(28)29)17(23(33)34)13-35-24(15)37-25-22(32)21(31)20(30)18(12-27)36-25/h2-3,5,7-9,11,13,15-16,18,20-22,24-25,27,30-32H,1,4,6,10,12H2,(H-,28,29,33,34)/b8-7+/t15-,16+,18-,20-,21+,22-,24+,25+/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=CC=C[N+](CCCC(=O)O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H31NO11/c1-2-15-16(8-7-14-5-3-9-26(11-14)10-4-6-19(28)29)17(23(33)34)13-35-24(15)37-25-22(32)21(31)20(30)18(12-27)36-25/h2-3,5,7-9,11,13,15-16,18,20-22,24-25,27,30-32H,1,4,6,10,12H2,(H-,28,29,33,34)/b8-7+/t15-,16+,18-,20-,21+,22-,24+,25+/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:2][C@@H:15]1[C@H:16](/[CH:8]=[CH:7]/[C:14]2=[CH:11][N+:26]([CH2:10][CH2:4][CH2:6][C:19](=[O:28])[OH:29])=[CH:9][CH:3]=[CH:5]2)[C:17]([C:23](=[O:33])[O-:34])=[CH:13][O:35][C@H:24]1[O:37][C@H:25]1[C@H:22]([OH:32])[C@@H:21]([OH:31])[C@H:20]([OH:30])[C@@H:18]([CH2:12][OH:27])[O:36]1 |
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