| Properties | Image |
|---|
| MNX_ID | MNXM1368534 |
 |
| reference | seedM:cpd05519 |
| formula | C32H38O20 |
| global charge | 0 |
| mol weight | 742.636 |
| InChIKey | YZLUNNOXSWSADV-KMLVFDMGSA-N |
| InChI | InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-35,37-45H,7-9H2/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30-,31+,32-/m1/s1 |
| SMILES | O=C1C=C(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C=C12 |
MNX internals
| InChI (mnx) | InChI=1/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-35,37-45H,7-9H2/t16-,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:35])=[C:15]([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:31]3[C@H:26]([OH:44])[C@@H:21]([OH:39])[C@H:16]([OH:38])[CH2:8][O:46]3)[C@@H:25]([OH:43])[C@@H:23]([OH:41])[C@@H:20]([CH2:9][O:47][C@H:30]3[C@H:27]([OH:45])[C@@H:24]([OH:42])[C@H:22]([OH:40])[C@@H:19]([CH2:7][OH:33])[O:50]3)[O:51]2)[CH:6]=[C:12]2[C:14](=[O:36])[CH:4]=[C:11]([OH:34])[CH:5]=[C:17]2[O:48]1 |
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