| Properties | Image |
|---|
| MNX_ID | MNXM1371500 |
 |
| reference | seedM:cpd31139 |
| formula | C32H38O20 |
| global charge | 0 |
| mol weight | 742.636 |
| InChIKey | QUJRSUQEDYKVRF-MRBLLYQQSA-N |
| InChI | InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,36-45H,7-9H2/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 |
| SMILES | O=C1C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C=C2C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,36-45H,7-9H2/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:13]([OH:36])=[C:14]([OH:37])[CH:3]=[C:10]1[C:28]1=[C:18]([O:49][C@H:32]2[C@H:29]([O:52][C@H:30]3[C@H:26]([OH:44])[C@@H:21]([OH:39])[C@H:15]([OH:38])[CH2:9][O:46]3)[C@@H:25]([OH:43])[C@H:23]([OH:41])[C@@H:20]([CH2:8][OH:34])[O:51]2)[CH:6]=[C:12]2[C:16](=[CH:4][C:11](=[O:35])[CH:5]=[C:17]2[O:48][C@H:31]2[C@H:27]([OH:45])[C@@H:24]([OH:42])[C@H:22]([OH:40])[C@@H:19]([CH2:7][OH:33])[O:50]2)[O:47]1 |
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