| Properties | Image |
|---|
| MNX_ID | MNXM1172668 |
 |
| reference | envipathM:...8bbb951e6449 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | OBLLHOQOMUXBKN-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-19-26(23(18-42)12-32(47)48)8-11-52-39(50)41(51)10-6-24-13-25(7-9-40(24,5)31(41)14-27(19)43)56-33-16-29(45)37(21(3)54-33)58-35-17-30(46)38(22(4)55-35)57-34-15-28(44)36(49)20(2)53-34/h12,19-22,24-26,28-31,33-38,42,44-46,49,51H,6-11,13-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C(=O)OCCC(C(=CC(=O)[O-])CO)C(C)C(=O)CC65)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-26(23(18-42)12-32(47)48)8-11-52-39(50)41(51)10-6-24-13-25(7-9-40(24,5)31(41)14-27(19)43)56-33-16-29(45)37(21(3)54-33)58-35-17-30(46)38(22(4)55-35)57-34-15-28(44)36(49)20(2)53-34/h12,19-22,24-26,28-31,33-38,42,44-46,49,51H,6-11,13-18H2,1-5H3,(H,47,48)/b23-12?/t19?,20?,21?,22?,24?,25?,26?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:26]([C:23](=[CH:12][C:32](=[O:47])[OH:48])[CH2:18][OH:42])[CH2:8][CH2:11][O:52][C:39](=[O:50])[C:41]2([OH:51])[CH2:10][CH2:6][CH:24]3[CH2:13][CH:25]([O:56][CH:33]4[CH2:16][CH:29]([OH:45])[CH:37]([O:58][CH:35]5[CH2:17][CH:30]([OH:46])[CH:38]([O:57][CH:34]6[CH2:15][CH:28]([OH:44])[CH:36]([OH:49])[CH:20]([CH3:2])[O:53]6)[CH:22]([CH3:4])[O:55]5)[CH:21]([CH3:3])[O:54]4)[CH2:7][CH2:9][C:40]3([CH3:5])[CH:31]2[CH2:14][C:27]1=[O:43] |
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