| Properties | Image |
|---|
| MNX_ID | MNXM113833 |
 |
| reference | chebi:67356 |
| formula | C52H60O24 |
| global charge | 0 |
| mol weight | 1069.028 |
| InChIKey | GKTDZITZKLTZSI-MYANAVBLSA-N |
| InChI | InChI=1S/C52H60O24/c53-22-34-39(59)42(62)44(64)48(72-34)70-32-15-8-29(9-16-32)25-68-38(58)21-52(20-28-6-13-31(56)14-7-28,51(67)69-26-30-10-17-33(18-11-30)71-49-45(65)43(63)40(60)35(23-54)73-49)76-50-46(66)47(41(61)36(24-55)74-50)75-37(57)19-12-27-4-2-1-3-5-27/h1-19,34-36,39-50,53-56,59-66H,20-26H2/b19-12+/t34-,35-,36-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48-,49-,50+,52-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=CC=C1)O[C@@H]1[C@@H](O)[C@H](O[C@@](CC(=O)OCC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)(CC2=CC=C(O)C=C2)C(=O)OCC2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)O[C@H](CO)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C52H60O24/c53-22-34-39(59)42(62)44(64)48(72-34)70-32-15-8-29(9-16-32)25-68-38(58)21-52(20-28-6-13-31(56)14-7-28,51(67)69-26-30-10-17-33(18-11-30)71-49-45(65)43(63)40(60)35(23-54)73-49)76-50-46(66)47(41(61)36(24-55)74-50)75-37(57)19-12-27-4-2-1-3-5-27/h1-19,34-36,39-50,53-56,59-66H,20-26H2/b19-12+/t34-,35-,36-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48-,49-,50+,52-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:27](/[CH:12]=[CH:19]/[C:37](=[O:57])[O:75][C@H:47]2[C@H:41]([OH:61])[C@@H:36]([CH2:24][OH:55])[O:74][C@@H:50]([O:76][C@:52]([CH2:20][C:28]3=[CH:7][CH:14]=[C:31]([OH:56])[CH:13]=[CH:6]3)([CH2:21][C:38](=[O:58])[O:68][CH2:25][C:29]3=[CH:9][CH:16]=[C:32]([O:70][C@H:48]4[C@H:44]([OH:64])[C@@H:42]([OH:62])[C@H:39]([OH:59])[C@@H:34]([CH2:22][OH:53])[O:72]4)[CH:15]=[CH:8]3)[C:51](=[O:67])[O:69][CH2:26][C:30]3=[CH:11][CH:18]=[C:33]([O:71][C@H:49]4[C@H:45]([OH:65])[C@@H:43]([OH:63])[C@H:40]([OH:60])[C@@H:35]([CH2:23][OH:54])[O:73]4)[CH:17]=[CH:10]3)[C@@H:46]2[OH:66])[CH:5]=[CH:3]1 |
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