| Properties | Image |
|---|
| MNX_ID | MNXM102109 |
 |
| reference | chebi:66046 |
| formula | C27H30O17 |
| global charge | 0 |
| mol weight | 626.52 |
| InChIKey | YNOSNIYDHUBEBU-HGKFCXGKSA-N |
| InChI | InChI=1S/C27H30O17/c28-6-15-19(34)22(37)23(38)26(42-15)44-25-20(35)16(7-29)43-27(24(25)39)41-14-5-13-17(21(36)18(14)33)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23-,24-,25+,26+,27-/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)=C(O)C(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O17/c28-6-15-19(34)22(37)23(38)26(42-15)44-25-20(35)16(7-29)43-27(24(25)39)41-14-5-13-17(21(36)18(14)33)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23-,24-,25+,26+,27-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:30])=[C:10]([OH:31])[CH:3]=[C:8]1[C:12]1=[CH:4][C:11](=[O:32])[C:17]2=[C:13]([CH:5]=[C:14]([O:41][C@H:27]3[C@H:24]([OH:39])[C@@H:25]([O:44][C@H:26]4[C@H:23]([OH:38])[C@@H:22]([OH:37])[C@H:19]([OH:34])[C@@H:15]([CH2:6][OH:28])[O:42]4)[C@H:20]([OH:35])[C@@H:16]([CH2:7][OH:29])[O:43]3)[C:18]([OH:33])=[C:21]2[OH:36])[O:40]1 |
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