| Properties | Image |
|---|
| MNX_ID | MNXM1364844 |
 |
| reference | chebi:169481 |
| formula | C27H30O17 |
| global charge | 0 |
| mol weight | 626.52 |
| InChIKey | RDUAJIJVNHKTQC-CISVTPEQSA-N |
| InChI | InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14?,15?,17-,18+,20?,21?,22-,25?,26+,27+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14?,15?,17-,18+,20?,21?,22-,25?,26+,27+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:31])=[C:11]([OH:32])[CH:3]=[C:8]1[C:23]1=[C:24]([O:43][C@H:27]2[CH:25]([O:44][C@H:26]3[C@H:22]([OH:39])[CH:20]([OH:37])[C@H:17]([OH:34])[CH:14]([CH2:6][OH:28])[O:41]3)[CH:21]([OH:38])[C@@H:18]([OH:35])[CH:15]([CH2:7][OH:29])[O:42]2)[C:19](=[O:36])[C:16]2=[C:12]([OH:33])[CH:4]=[C:9]([OH:30])[CH:5]=[C:13]2[O:40]1 |
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