| Properties | Image |
|---|
| MNX_ID | MNXM1197910 |
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| reference | envipathM:...82c24f69f1a6 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | ZHQFNCRKVPYCBQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-35(57-33-15-27(44)36(20(2)53-33)58-34-17-31(48)56-37(49)21(3)54-34)26(43)14-32(52-19)55-24-7-9-38(4)23(13-24)6-10-40(50)28(38)16-29(45)39(5)25(8-11-41(39,40)51)22(18-42)12-30(46)47/h12,19-21,23-25,27-29,31-36,42,44-45,48,50-51H,6-11,13-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)CC(O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-35(57-33-15-27(44)36(20(2)53-33)58-34-17-31(48)56-37(49)21(3)54-34)26(43)14-32(52-19)55-24-7-9-38(4)23(13-24)6-10-40(50)28(38)16-29(45)39(5)25(8-11-41(39,40)51)22(18-42)12-30(46)47/h12,19-21,23-25,27-29,31-36,42,44-45,48,50-51H,6-11,13-18H2,1-5H3,(H,46,47)/b22-12?/t19?,20?,21?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([O:57][CH:33]2[CH2:15][CH:27]([OH:44])[CH:36]([O:58][CH:34]3[CH2:17][CH:31]([OH:48])[O:56][C:37](=[O:49])[CH:21]([CH3:3])[O:54]3)[CH:20]([CH3:2])[O:53]2)[C:26](=[O:43])[CH2:14][CH:32]([O:55][CH:24]2[CH2:7][CH2:9][C:38]3([CH3:4])[CH:23]([CH2:6][CH2:10][C:40]4([OH:50])[CH:28]3[CH2:16][CH:29]([OH:45])[C:39]3([CH3:5])[CH:25]([C:22](=[CH:12][C:30](=[O:46])[OH:47])[CH2:18][OH:42])[CH2:8][CH2:11][C:41]34[OH:51])[CH2:13]2)[O:52]1 |
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