| Properties | Image |
|---|
| MNX_ID | MNXM1177599 |
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| reference | envipathM:...ba0171cdd3f7 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | QFXYWTDWRKPXSQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-17-36(52)24(45)11-32(54-17)59-38-26(47)13-33(57-28(38)16-43)58-37-18(2)55-31(12-25(37)46)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/h7,17-18,20-29,31-38,42-49,52-53H,5-6,8-16H2,1-4H3,(H,50,51)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)C(O)CC45O)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-17-36(52)24(45)11-32(54-17)59-38-26(47)13-33(57-28(38)16-43)58-37-18(2)55-31(12-25(37)46)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/h7,17-18,20-29,31-38,42-49,52-53H,5-6,8-16H2,1-4H3,(H,50,51)/b19-7?/t17?,18?,20?,21?,22?,23?,24?,25?,26?,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:36]([OH:52])[CH:24]([OH:45])[CH2:11][CH:32]([O:59][CH:38]2[CH:26]([OH:47])[CH2:13][CH:33]([O:58][CH:37]3[CH:18]([CH3:2])[O:55][CH:31]([O:56][CH:21]4[CH2:5][CH2:6][C:39]5([CH3:3])[CH:20]([CH2:8]4)[CH2:9][CH:23]([OH:44])[CH:35]4[CH:22]5[CH2:10][CH:29]([OH:49])[C:40]5([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]45[OH:53])[CH2:12][CH:25]3[OH:46])[O:57][CH:28]2[CH2:16][OH:43])[O:54]1 |
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