| Properties | Image |
|---|
| MNX_ID | MNXM1182104 |
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| reference | envipathM:...2a8793e83840 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | XDEIOVJKYPPCKU-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-18-34(48)26(42)15-32(53-18)57-36-20(3)55-33(17-28(36)44)58-35-19(2)54-31(16-27(35)43)56-22-8-9-38(4)21(12-22)6-7-23-24(38)13-29(45)39(5)40(23,51)10-11-41(39,52)25(37(49)50)14-30(46)47/h14,18-24,26,28-29,31-37,42,44-45,48-52H,6-13,15-17H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C(=CC(=O)[O-])C(O)O)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-34(48)26(42)15-32(53-18)57-36-20(3)55-33(17-28(36)44)58-35-19(2)54-31(16-27(35)43)56-22-8-9-38(4)21(12-22)6-7-23-24(38)13-29(45)39(5)40(23,51)10-11-41(39,52)25(37(49)50)14-30(46)47/h14,18-24,26,28-29,31-37,42,44-45,48-52H,6-13,15-17H2,1-5H3,(H,46,47)/b25-14?/t18?,19?,20?,21?,22?,23?,24?,26?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:26]([OH:42])[CH2:15][CH:32]([O:57][CH:36]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:22]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:23]6[CH:24]5[CH2:13][CH:29]([OH:45])[C:39]5([CH3:5])[C:40]6([OH:51])[CH2:10][CH2:11][C:41]5([C:25](=[CH:14][C:30](=[O:46])[OH:47])[CH:37]([OH:49])[OH:50])[OH:52])[CH2:12]4)[CH2:16][C:27]3=[O:43])[CH2:17][CH:28]2[OH:44])[O:53]1 |
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