| Properties | Image |
|---|
| MNX_ID | MNXM32047 |
 |
| reference | chebi:479 |
| formula | C34H28O22 |
| global charge | 0 |
| mol weight | 788.576 |
| InChIKey | XFLTYUCKJRFDOU-UEKZKNBCSA-N |
| InChI | InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34-/m1/s1 |
| SMILES | O=C(O[C@H]1O[C@H](CO)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:10]([C:30](=[O:48])[O:53][C@@H:27]2[C@@H:22]([CH2:9][OH:35])[O:52][C@H:34]([O:56][C:33]([C:13]3=[CH:7][C:20]([OH:42])=[C:26]([OH:47])[C:21]([OH:43])=[CH:8]3)=[O:51])[C@H:29]([O:55][C:32]([C:12]3=[CH:5][C:18]([OH:40])=[C:25]([OH:46])[C:19]([OH:41])=[CH:6]3)=[O:50])[C@H:28]2[O:54][C:31]([C:11]2=[CH:3][C:16]([OH:38])=[C:24]([OH:45])[C:17]([OH:39])=[CH:4]2)=[O:49])[CH:2]=[C:15]([OH:37])[C:23]([OH:44])=[C:14]1[OH:36] |
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