| Properties | Image |
|---|
| MNX_ID | MNXM1178850 |
 |
| reference | envipathM:...a18b0669f433 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | MTICTZABDOQVTQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-37(57-33-14-27(46)38(19(2)54-33)58-34-12-25(44)36(51)29(17-43)56-34)26(45)13-32(53-18)55-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(48)40(4)35(20(16-42)9-31(49)50)28(47)15-41(23,40)52/h9,18-19,21-26,28-30,32-35,37-38,42-45,47-48,52H,5-8,10-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CC(O)C4(C)C(C(=CC(=O)[O-])CO)C(O)CC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-37(57-33-14-27(46)38(19(2)54-33)58-34-12-25(44)36(51)29(17-43)56-34)26(45)13-32(53-18)55-22-7-8-39(3)21(10-22)5-6-23-24(39)11-30(48)40(4)35(20(16-42)9-31(49)50)28(47)15-41(23,40)52/h9,18-19,21-26,28-30,32-35,37-38,42-45,47-48,52H,5-8,10-17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:57][CH:33]2[CH2:14][C:27](=[O:46])[CH:38]([O:58][CH:34]3[CH2:12][CH:25]([OH:44])[C:36](=[O:51])[CH:29]([CH2:17][OH:43])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:26]([OH:45])[CH2:13][CH:32]([O:55][CH:22]2[CH2:7][CH2:8][C:39]3([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]4[CH:24]3[CH2:11][CH:30]([OH:48])[C:40]3([CH3:4])[CH:35]([C:20](=[CH:9][C:31](=[O:49])[OH:50])[CH2:16][OH:42])[CH:28]([OH:47])[CH2:15][C:41]43[OH:52])[CH2:10]2)[O:53]1 |
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