| Properties | Image |
|---|
| MNX_ID | MNXM1194420 |
 |
| reference | envipathM:...872de96ab55c |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | WJCHAZMWDMOYIJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-17-37(58-32-13-26(47)38(18(2)55-32)59-33-11-24(45)36(52)28(16-43)57-33)25(46)12-31(54-17)56-21-5-6-39(3)20(8-21)9-23(44)35-22(39)10-29(49)40(4)34(19(15-42)7-30(50)51)27(48)14-41(35,40)53/h7,17-18,20-25,27-29,31-38,42-46,48-49,52-53H,5-6,8-16H2,1-4H3,(H,50,51)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)C(O)CC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-37(58-32-13-26(47)38(18(2)55-32)59-33-11-24(45)36(52)28(16-43)57-33)25(46)12-31(54-17)56-21-5-6-39(3)20(8-21)9-23(44)35-22(39)10-29(49)40(4)34(19(15-42)7-30(50)51)27(48)14-41(35,40)53/h7,17-18,20-25,27-29,31-38,42-46,48-49,52-53H,5-6,8-16H2,1-4H3,(H,50,51)/b19-7?/t17?,18?,20?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:37]([O:58][CH:32]2[CH2:13][C:26](=[O:47])[CH:38]([O:59][CH:33]3[CH2:11][CH:24]([OH:45])[CH:36]([OH:52])[CH:28]([CH2:16][OH:43])[O:57]3)[CH:18]([CH3:2])[O:55]2)[CH:25]([OH:46])[CH2:12][CH:31]([O:56][CH:21]2[CH2:5][CH2:6][C:39]3([CH3:3])[CH:20]([CH2:8]2)[CH2:9][CH:23]([OH:44])[CH:35]2[CH:22]3[CH2:10][CH:29]([OH:49])[C:40]3([CH3:4])[CH:34]([C:19](=[CH:7][C:30](=[O:50])[OH:51])[CH2:15][OH:42])[CH:27]([OH:48])[CH2:14][C:41]23[OH:53])[O:54]1 |
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