| Properties | Image |
|---|
| MNX_ID | MNXM1189161 |
 |
| reference | envipathM:...cce5fd49639b |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | GSVRBIGQGDRESA-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-36(50)28(44)14-33(52-18)57-37-19(2)53-34(15-29(37)45)58-38-20(3)54-35(16-32(49)56-38)55-22-6-8-39(4)24-13-30(46)40(5)23(21(17-42)10-31(47)48)7-9-41(40,51)25(24)12-27(43)26(39)11-22/h10,18-20,22-30,33-35,37-38,42-46,51H,6-9,11-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3OC(=O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(50)28(44)14-33(52-18)57-37-19(2)53-34(15-29(37)45)58-38-20(3)54-35(16-32(49)56-38)55-22-6-8-39(4)24-13-30(46)40(5)23(21(17-42)10-31(47)48)7-9-41(40,51)25(24)12-27(43)26(39)11-22/h10,18-20,22-30,33-35,37-38,42-46,51H,6-9,11-17H2,1-5H3,(H,47,48)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,33?,34?,35?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:36](=[O:50])[CH:28]([OH:44])[CH2:14][CH:33]([O:57][CH:37]2[CH:19]([CH3:2])[O:53][CH:34]([O:58][CH:38]3[CH:20]([CH3:3])[O:54][CH:35]([O:55][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:24]6[CH2:13][CH:30]([OH:46])[C:40]7([CH3:5])[CH:23]([C:21](=[CH:10][C:31](=[O:47])[OH:48])[CH2:17][OH:42])[CH2:7][CH2:9][C:41]7([OH:51])[CH:25]6[CH2:12][CH:27]([OH:43])[CH:26]5[CH2:11]4)[CH2:16][C:32](=[O:49])[O:56]3)[CH2:15][CH:29]2[OH:45])[O:52]1 |
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