| Properties | Image |
|---|
| MNX_ID | MNXM1372564 |
 |
| reference | chebi:32050 |
| formula | C53H72O24 |
| global charge | 0 |
| mol weight | 1093.135 |
| InChIKey | HCTADUCAPFYREF-OFWAWROCSA-N |
| InChI | InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1 |
| SMILES | CO[C@@H]1C(O)=C(C(C)=O)C(=O)[C@@]2(O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]5C[C@](C)(O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C(=O)C3=C(O)C4=C(O)C(C)=C(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)C=C4C=C3C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[C:29]([O:73][C@H:34]2[CH2:14][C@@H:30]([O:74][C@H:33]3[CH2:13][C@@H:28]([OH:55])[C@H:42]([OH:57])[C@@H:20]([CH3:3])[O:68]3)[C@H:43]([OH:58])[C@@H:21]([CH3:4])[O:69]2)[CH:12]=[C:26]2[CH:10]=[C:25]3[CH2:11][C@H:27]4[C@H:48]([O:67][CH3:9])[C:47]([OH:62])=[C:38]([C:19]([CH3:2])=[O:54])[C:50](=[O:64])[C@@:53]4([O:77][C@H:36]4[CH2:16][C@@H:32]([O:75][C@H:35]5[CH2:15][C@@H:31]([O:76][C@H:37]6[CH2:17][C@:52]([CH3:8])([OH:66])[C@H:49]([OH:63])[C@@H:24]([CH3:7])[O:72]6)[C@@H:44]([OH:59])[C@@H:22]([CH3:5])[O:70]5)[C@H:45]([OH:60])[C@@H:23]([CH3:6])[O:71]4)[C:51](=[O:65])[C:40]3=[C:46]([OH:61])[C:39]2=[C:41]1[OH:56] |
|