| Properties | Image |
|---|
| MNX_ID | MNXM106292 |
 |
| reference | chebi:69644 |
| formula | C24H29NO11 |
| global charge | 0 |
| mol weight | 507.492 |
| InChIKey | KKLONPANWKAOPP-DFEUVTCYSA-N |
| InChI | InChI=1S/C24H29NO11/c1-3-14-15(6-5-12-7-13(21(30)31)9-25(4-2)8-12)16(22(32)33)11-34-23(14)36-24-20(29)19(28)18(27)17(10-26)35-24/h3,5-9,11,14-15,17-20,23-24,26-29H,1,4,10H2,2H3,(H-,30,31,32,33)/b6-5+/t14-,15+,17-,18-,19+,20-,23+,24+/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+](CC)=CC(C(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H29NO11/c1-3-14-15(6-5-12-7-13(21(30)31)9-25(4-2)8-12)16(22(32)33)11-34-23(14)36-24-20(29)19(28)18(27)17(10-26)35-24/h3,5-9,11,14-15,17-20,23-24,26-29H,1,4,10H2,2H3,(H-,30,31,32,33)/b6-5+/t14-,15+,17-,18-,19+,20-,23+,24+/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:3][C@@H:14]1[C@H:15](/[CH:6]=[CH:5]/[C:12]2=[CH:7][C:13]([C:21](=[O:30])[OH:31])=[CH:9][N+:25]([CH2:4][CH3:2])=[CH:8]2)[C:16]([C:22](=[O:32])[O-:33])=[CH:11][O:34][C@H:23]1[O:36][C@H:24]1[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:17]([CH2:10][OH:26])[O:35]1 |
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