| Properties | Image |
|---|
| MNX_ID | MNXM104577 |
 |
| reference | chebi:65792 |
| formula | C36H32O16 |
| global charge | 0 |
| mol weight | 720.636 |
| InChIKey | DQBZPEAEXINSNR-QUCAXYRHSA-N |
| InChI | InChI=1S/C36H32O16/c37-12-27-31(45)32(46)33(47)35(50-27)48-15-7-21(42)28-16-11-36(51-25(28)8-15,14-2-4-18(39)20(41)6-14)52-26-10-23(44)30-22(43)9-24(49-34(30)29(16)26)13-1-3-17(38)19(40)5-13/h1-8,10,16,24,27,31-33,35,37-42,44-47H,9,11-12H2/t16-,24-,27-,31-,32+,33-,35-,36-/m1/s1 |
| SMILES | O=C1C[C@H](C2=CC=C(O)C(O)=C2)OC2=C3C(=CC(O)=C12)O[C@@]1(C2=CC(O)=C(O)C=C2)C[C@@H]3C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1 |
MNX internals
| InChI (mnx) | InChI=1/C36H32O16/c37-12-27-31(45)32(46)33(47)35(50-27)48-15-7-21(42)28-16-11-36(51-25(28)8-15,14-2-4-18(39)20(41)6-14)52-26-10-23(44)30-22(43)9-24(49-34(30)29(16)26)13-1-3-17(38)19(40)5-13/h1-8,10,16,24,27,31-33,35,37-42,44-47H,9,11-12H2/t16-,24-,27-,31-,32+,33-,35-,36-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:17]([OH:38])=[C:19]([OH:40])[CH:5]=[C:13]1[C@H:24]1[CH2:9][C:22](=[O:43])[C:30]2=[C:23]([OH:44])[CH:10]=[C:26]3[C:29](=[C:34]2[O:49]1)[C@@H:16]1[CH2:11][C@@:36]([C:14]2=[CH:6][C:20]([OH:41])=[C:18]([OH:39])[CH:4]=[CH:2]2)([O:51][C:25]2=[CH:8][C:15]([O:48][C@H:35]4[C@H:33]([OH:47])[C@@H:32]([OH:46])[C@H:31]([OH:45])[C@@H:27]([CH2:12][OH:37])[O:50]4)=[CH:7][C:21]([OH:42])=[C:28]12)[O:52]3 |
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