| Properties | Image |
|---|
| MNX_ID | MNXM120173 |
 |
| reference | hmdb:HMDB0040950 |
| formula | C44H70O17 |
| global charge | 0 |
| mol weight | 871.027 |
| InChIKey | OKFUWWZDPLSBLG-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h5,19-20,22-41,45-53H,6-18H2,1-4H3 |
| SMILES | CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
MNX internals
| InChI (mnx) | InChI=1/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(52)33(50)37(29(16-46)58-40)59-41-36(53)38(32(49)28(15-45)57-41)60-39-34(51)31(48)26(47)18-54-39/h5,19-20,22-41,45-53H,6-18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH2:7][CH2:12][C:44]2([CH:20]([CH3:2])[CH:30]3[CH:27]([CH2:14][CH:25]4[CH:23]5[CH2:6][CH:5]=[C:21]6[CH2:13][CH:22]([O:56][CH:40]7[CH:35]([OH:52])[CH:33]([OH:50])[CH:37]([O:59][CH:41]8[CH:36]([OH:53])[CH:38]([O:60][CH:39]9[CH:34]([OH:51])[CH:31]([OH:48])[CH:26]([OH:47])[CH2:18][O:54]9)[CH:32]([OH:49])[CH:28]([CH2:15][OH:45])[O:57]8)[CH:29]([CH2:16][OH:46])[O:58]7)[CH2:8][CH2:10][C:42]6([CH3:3])[CH:24]5[CH2:9][CH2:11][C:43]43[CH3:4])[O:61]2)[O:55][CH2:17]1 |
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