| Properties | Image |
|---|
| MNX_ID | MNXM1191392 |
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| reference | envipathM:...98eee0322c65 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | NRUZKTSUDFATJK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-19-35(50)26(44)13-32(53-19)57-36-20(2)54-33(14-27(36)45)58-37-28(46)15-34(56-29(37)18-43)55-22-5-8-38(3)25-12-30(47)39(4)23(21(17-42)11-31(48)49)7-10-41(39,52)24(25)6-9-40(38,51)16-22/h11,19-20,22-25,27-30,32-37,42-43,45-47,50-52H,5-10,12-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C(=CC(=O)[O-])CO)CCC7(O)C6CCC5(O)C4)OC3CO)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-35(50)26(44)13-32(53-19)57-36-20(2)54-33(14-27(36)45)58-37-28(46)15-34(56-29(37)18-43)55-22-5-8-38(3)25-12-30(47)39(4)23(21(17-42)11-31(48)49)7-10-41(39,52)24(25)6-9-40(38,51)16-22/h11,19-20,22-25,27-30,32-37,42-43,45-47,50-52H,5-10,12-18H2,1-4H3,(H,48,49)/b21-11?/t19?,20?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:50])[C:26](=[O:44])[CH2:13][CH:32]([O:57][CH:36]2[CH:20]([CH3:2])[O:54][CH:33]([O:58][CH:37]3[CH:28]([OH:46])[CH2:15][CH:34]([O:55][CH:22]4[CH2:5][CH2:8][C:38]5([CH3:3])[CH:25]6[CH2:12][CH:30]([OH:47])[C:39]7([CH3:4])[CH:23]([C:21](=[CH:11][C:31](=[O:48])[OH:49])[CH2:17][OH:42])[CH2:7][CH2:10][C:41]7([OH:52])[CH:24]6[CH2:6][CH2:9][C:40]5([OH:51])[CH2:16]4)[O:56][CH:29]3[CH2:18][OH:43])[CH2:14][CH:27]2[OH:45])[O:53]1 |
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