| Properties | Image |
|---|
| MNX_ID | MNXM1180559 |
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| reference | envipathM:...b9221b711acc |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | LEFHNWYQMZZAKX-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-34(48)27(43)14-32(53-19)57-36-21(3)55-33(18-52-37(36)49)58-35-20(2)54-31(15-28(35)44)56-23-6-9-38(4)26-13-29(45)39(5)24(22(17-42)12-30(46)47)8-11-41(39,51)25(26)7-10-40(38,50)16-23/h12,19-21,23-26,28-29,31-36,42,44-45,48,50-51H,6-11,13-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(=O)OCC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C(=CC(=O)[O-])CO)CCC7(O)C6CCC5(O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-34(48)27(43)14-32(53-19)57-36-21(3)55-33(18-52-37(36)49)58-35-20(2)54-31(15-28(35)44)56-23-6-9-38(4)26-13-29(45)39(5)24(22(17-42)12-30(46)47)8-11-41(39,51)25(26)7-10-40(38,50)16-23/h12,19-21,23-26,28-29,31-36,42,44-45,48,50-51H,6-11,13-18H2,1-5H3,(H,46,47)/b22-12?/t19?,20?,21?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:48])[C:27](=[O:43])[CH2:14][CH:32]([O:57][CH:36]2[CH:21]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:6][CH2:9][C:38]5([CH3:4])[CH:26]6[CH2:13][CH:29]([OH:45])[C:39]7([CH3:5])[CH:24]([C:22](=[CH:12][C:30](=[O:46])[OH:47])[CH2:17][OH:42])[CH2:8][CH2:11][C:41]7([OH:51])[CH:25]6[CH2:7][CH2:10][C:40]5([OH:50])[CH2:16]4)[CH2:15][CH:28]3[OH:44])[CH2:18][O:52][C:37]2=[O:49])[O:53]1 |
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