| Properties | Image |
|---|
| MNX_ID | MNXM1197463 |
 |
| reference | envipathM:...96742fb197f0 |
| formula | C41H64O18 |
| global charge | -2 |
| mol weight | 844.945 |
| InChIKey | IKXWNHUAPIIVEX-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H66O18/c1-18-36(58-33-14-27(44)37(19(2)55-33)59-34(15-31(49)50)56-20(3)38(51)52)26(43)13-32(54-18)57-23-8-9-39(4)22(11-23)6-7-24-25(39)12-29(46)40(5)35(21(17-42)10-30(47)48)28(45)16-41(24,40)53/h10,18-20,22-29,32-38,42-46,51-53H,6-9,11-17H2,1-5H3,(H,47,48)(H,49,50)/p-2 |
| SMILES | CC(OC(CC(=O)[O-])OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)C(O)CC54O)C3)OC2C)OC1C)C(O)O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-36(58-33-14-27(44)37(19(2)55-33)59-34(15-31(49)50)56-20(3)38(51)52)26(43)13-32(54-18)57-23-8-9-39(4)22(11-23)6-7-24-25(39)12-29(46)40(5)35(21(17-42)10-30(47)48)28(45)16-41(24,40)53/h10,18-20,22-29,32-38,42-46,51-53H,6-9,11-17H2,1-5H3,(H,47,48)(H,49,50)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:58][CH:33]2[CH2:14][CH:27]([OH:44])[CH:37]([O:59][CH:34]([CH2:15][C:31](=[O:49])[OH:50])[O:56][CH:20]([CH3:3])[CH:38]([OH:51])[OH:52])[CH:19]([CH3:2])[O:55]2)[CH:26]([OH:43])[CH2:13][CH:32]([O:57][CH:23]2[CH2:8][CH2:9][C:39]3([CH3:4])[CH:22]([CH2:6][CH2:7][CH:24]4[CH:25]3[CH2:12][CH:29]([OH:46])[C:40]3([CH3:5])[CH:35]([C:21](=[CH:10][C:30](=[O:47])[OH:48])[CH2:17][OH:42])[CH:28]([OH:45])[CH2:16][C:41]43[OH:53])[CH2:11]2)[O:54]1 |
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