| Properties | Image |
|---|
| MNX_ID | MNXM1182966 |
 |
| reference | envipathM:...e03034a13b63 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | CEFNEODMWBBZBA-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-17-36(51)25(44)12-32(53-17)57-38-19(3)55-33(14-27(38)46)58-37-18(2)54-31(13-26(37)45)56-22-6-7-39(4)21(9-22)10-24(43)35-23(39)11-29(48)40(5)34(20(16-42)8-30(49)50)28(47)15-41(35,40)52/h8,17-19,21-27,29,31-38,42-46,48,51-52H,6-7,9-16H2,1-5H3,(H,49,50)/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)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-17-36(51)25(44)12-32(53-17)57-38-19(3)55-33(14-27(38)46)58-37-18(2)54-31(13-26(37)45)56-22-6-7-39(4)21(9-22)10-24(43)35-23(39)11-29(48)40(5)34(20(16-42)8-30(49)50)28(47)15-41(35,40)52/h8,17-19,21-27,29,31-38,42-46,48,51-52H,6-7,9-16H2,1-5H3,(H,49,50)/b20-8?/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,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:51])[CH:25]([OH:44])[CH2:12][CH:32]([O:57][CH:38]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:37]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:22]4[CH2:6][CH2:7][C:39]5([CH3:4])[CH:21]([CH2:9]4)[CH2:10][CH:24]([OH:43])[CH:35]4[CH:23]5[CH2:11][CH:29]([OH:48])[C:40]5([CH3:5])[CH:34]([C:20](=[CH:8][C:30](=[O:49])[OH:50])[CH2:16][OH:42])[C:28](=[O:47])[CH2:15][C:41]45[OH:52])[CH2:13][CH:26]3[OH:45])[CH2:14][CH:27]2[OH:46])[O:53]1 |
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