| Properties | Image |
|---|
| MNX_ID | MNXM103873 |
 |
| reference | chebi:65637 |
| formula | C28H30O15 |
| global charge | 0 |
| mol weight | 606.533 |
| InChIKey | NUMSWUCLFNXPFE-WVQLPIEPSA-N |
| InChI | InChI=1S/C28H30O15/c1-36-14-5-4-10(6-13(14)30)18(31)11-7-28(43-25(11)35)17-16(21-23(28)41-21)12(24(34)38-3)9-39-26(17)42-27-22(37-2)20(33)19(32)15(8-29)40-27/h4-7,9,15-17,19-23,26-27,29-30,32-33H,8H2,1-3H3/t15-,16-,17-,19-,20+,21+,22-,23+,26+,27+,28-/m1/s1 |
| SMILES | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC)[C@H]2[C@@H]1[C@@H]1O[C@@H]1[C@@]21C=C(C(=O)C2=CC=C(OC)C(O)=C2)C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C28H30O15/c1-36-14-5-4-10(6-13(14)30)18(31)11-7-28(43-25(11)35)17-16(21-23(28)41-21)12(24(34)38-3)9-39-26(17)42-27-22(37-2)20(33)19(32)15(8-29)40-27/h4-7,9,15-17,19-23,26-27,29-30,32-33H,8H2,1-3H3/t15-,16-,17-,19-,20+,21+,22-,23+,26+,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:14]1=[C:13]([OH:30])[CH:6]=[C:10]([C:18]([C:11]2=[CH:7][C@:28]3([C@@H:17]4[C@@H:16]([C:12]([C:24](=[O:34])[O:38][CH3:3])=[CH:9][O:39][C@H:26]4[O:42][C@H:27]4[C@H:22]([O:37][CH3:2])[C@@H:20]([OH:33])[C@H:19]([OH:32])[C@@H:15]([CH2:8][OH:29])[O:40]4)[C@H:21]4[C@@H:23]3[O:41]4)[O:43][C:25]2=[O:35])=[O:31])[CH:4]=[CH:5]1 |
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