| Properties | Image |
|---|
| MNX_ID | MNXM1371067 |
 |
| reference | chebi:80477 |
| formula | C36H37O18 |
| global charge | 1 |
| mol weight | 757.674 |
| InChIKey | XVAALFVCJHPAIQ-AQAMAIGXSA-O |
| InChI | InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC(O)=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C4=CC=C(O)C=C4)=[O+]C3=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/b8-2?/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:7][C:20]([OH:40])=[C:21]([OH:41])[CH:9]=[C:15]1[CH:2]=[CH:8][C:27]([O-:42])=[O+:49][CH2:14][C@@H:26]1[C@@H:29]([OH:44])[C@H:31]([OH:46])[C@@H:33]([OH:48])[C@H:35]([O:51][C:23]2=[CH:11][C:18]([OH:39])=[CH:10][C:22]3=[C:19]2[CH:12]=[C:24]([O:52][C@H:36]2[C@H:32]([OH:47])[C@@H:30]([OH:45])[C@H:28]([OH:43])[C@@H:25]([CH2:13][OH:37])[O:53]2)[C:34](=[C:16]2[CH:3]=[CH:5][C:17](=[O:38])[CH:6]=[CH:4]2)[O:50]3)[O:54]1 |
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