| Properties | Image |
|---|
| MNX_ID | MNXM1193306 |
 |
| reference | envipathM:...1745eda00119 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | DPMMYPOPPDYBJQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-19-35(50)25(44)13-33(53-19)58-37-27(46)15-34(56-28(37)17-42)57-36-20(2)54-32(14-26(36)45)55-22-7-9-38(3)21(11-22)5-6-23-24(38)12-30(47)39(4)29(8-10-41(23,39)52)40(51,18-43)16-31(48)49/h19-24,27-30,32-37,42-43,46-47,50-52H,5-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(O)(CO)CC(=O)[O-])CCC65O)C4)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-35(50)25(44)13-33(53-19)58-37-27(46)15-34(56-28(37)17-42)57-36-20(2)54-32(14-26(36)45)55-22-7-9-38(3)21(11-22)5-6-23-24(38)12-30(47)39(4)29(8-10-41(23,39)52)40(51,18-43)16-31(48)49/h19-24,27-30,32-37,42-43,46-47,50-52H,5-18H2,1-4H3,(H,48,49)/t19?,20?,21?,22?,23?,24?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:50])[C:25](=[O:44])[CH2:13][CH:33]([O:58][CH:37]2[CH:27]([OH:46])[CH2:15][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:54][CH:32]([O:55][CH:22]4[CH2:7][CH2:9][C:38]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:12][CH:30]([OH:47])[C:39]5([CH3:4])[CH:29]([C:40]([CH2:16][C:31](=[O:48])[OH:49])([CH2:18][OH:43])[OH:51])[CH2:8][CH2:10][C:41]65[OH:52])[CH2:11]4)[CH2:14][C:26]3=[O:45])[O:56][CH:28]2[CH2:17][OH:42])[O:53]1 |
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