| Properties | Image |
|---|
| MNX_ID | MNXM1173204 |
 |
| reference | envipathM:...27ea5a1a8e77 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | YNETXMGJCFUZJQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(50)25(44)12-31(54-18)58-36-19(2)55-33(17-53-38(36)51)59-37-26(45)13-32(57-28(37)16-43)56-22-7-8-39(3)21(10-22)5-6-23-24(39)11-29(47)40(4)34(20(15-42)9-30(48)49)27(46)14-41(23,40)52/h9,18-19,21-29,31-37,42-47,50,52H,5-8,10-17H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)C(O)CC54O)C3)OC2CO)COC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(50)25(44)12-31(54-18)58-36-19(2)55-33(17-53-38(36)51)59-37-26(45)13-32(57-28(37)16-43)56-22-7-8-39(3)21(10-22)5-6-23-24(39)11-29(47)40(4)34(20(15-42)9-30(48)49)27(46)14-41(23,40)52/h9,18-19,21-29,31-37,42-47,50,52H,5-8,10-17H2,1-4H3,(H,48,49)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[CH:25]([OH:44])[CH2:12][CH:31]([O:58][CH:36]2[CH:19]([CH3:2])[O:55][CH:33]([O:59][CH:37]3[CH:26]([OH:45])[CH2:13][CH:32]([O:56][CH:22]4[CH2:7][CH2:8][C:39]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:11][CH:29]([OH:47])[C:40]5([CH3:4])[CH:34]([C:20](=[CH:9][C:30](=[O:48])[OH:49])[CH2:15][OH:42])[CH:27]([OH:46])[CH2:14][C:41]65[OH:52])[CH2:10]4)[O:57][CH:28]3[CH2:16][OH:43])[CH2:17][O:53][C:38]2=[O:51])[O:54]1 |
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