| Properties | Image |
|---|
| MNX_ID | MNXM113539 |
 |
| reference | chebi:66228 |
| formula | C35H30O17 |
| global charge | 0 |
| mol weight | 722.608 |
| InChIKey | UJNCWORGHSATHA-XWSAIMBSSA-N |
| InChI | InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30-,31-,32-,35-/m1/s1 |
| SMILES | O=C(CCC1=CC=CC=C1)C1=C(O)C=C(O[C@@H]2O[C@@H]3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@H]3[C@H](O)[C@H]2O)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30-,31-,32-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]([CH2:6][CH2:7][C:17]([C:25]2=[C:18]([OH:37])[CH:8]=[C:14]([O:50][C@H:35]3[C@H:31]([OH:46])[C@@H:30]([OH:45])[C@H:32]4[C@@H:22]([CH2:12][O:49][C:33](=[O:47])[C:15]5=[CH:10][C:20]([OH:39])=[C:26]([OH:41])[C:28]([OH:43])=[C:23]5[C:24]5=[C:16]([CH:11]=[C:21]([OH:40])[C:27]([OH:42])=[C:29]5[OH:44])[C:34](=[O:48])[O:52]4)[O:51]3)[CH:9]=[C:19]2[OH:38])=[O:36])[CH:5]=[CH:3]1 |
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