| Properties | Image |
|---|
| MNX_ID | MNXM1183118 |
 |
| reference | envipathM:...eef2bca2f7d5 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | FAILCKICVBZKJR-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-19-34(50)24(44)12-32(54-19)59-36-26(46)14-33(57-27(36)17-42)58-35-20(2)55-31(13-25(35)45)56-21-5-8-37(3)23-11-29(47)38(4)28(39(51,18-43)16-30(48)49)7-10-41(38,53)22(23)6-9-40(37,52)15-21/h19-23,25-29,31-36,42-43,45-47,50-53H,5-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C(O)(CO)CC(=O)[O-])CCC7(O)C6CCC5(O)C4)OC3C)OC2CO)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-19-34(50)24(44)12-32(54-19)59-36-26(46)14-33(57-27(36)17-42)58-35-20(2)55-31(13-25(35)45)56-21-5-8-37(3)23-11-29(47)38(4)28(39(51,18-43)16-30(48)49)7-10-41(38,53)22(23)6-9-40(37,52)15-21/h19-23,25-29,31-36,42-43,45-47,50-53H,5-18H2,1-4H3,(H,48,49)/t19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:50])[C:24](=[O:44])[CH2:12][CH:32]([O:59][CH:36]2[CH:26]([OH:46])[CH2:14][CH:33]([O:58][CH:35]3[CH:20]([CH3:2])[O:55][CH:31]([O:56][CH:21]4[CH2:5][CH2:8][C:37]5([CH3:3])[CH:23]6[CH2:11][CH:29]([OH:47])[C:38]7([CH3:4])[CH:28]([C:39]([CH2:16][C:30](=[O:48])[OH:49])([CH2:18][OH:43])[OH:51])[CH2:7][CH2:10][C:41]7([OH:53])[CH:22]6[CH2:6][CH2:9][C:40]5([OH:52])[CH2:15]4)[CH2:13][CH:25]3[OH:45])[O:57][CH:27]2[CH2:17][OH:42])[O:54]1 |
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