| Properties | Image |
|---|
| MNX_ID | MNXM145028 |
 |
| reference | hmdb:HMDB0039950 |
| formula | C44H72O18 |
| global charge | 0 |
| mol weight | 889.042 |
| InChIKey | AALVUUMVCUHIRJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H72O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-8-26-19(2)31-28(59-26)12-23-21-7-6-20-11-27(24(46)13-44(20,4)22(21)9-10-43(23,31)3)60-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)25(47)16-57-40/h18,20-25,27-42,45-55H,5-17H2,1-4H3 |
| SMILES | CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C12 |
MNX internals
| InChI (mnx) | InChI=1/C44H72O18/c1-18(15-56-41-38(54)35(51)33(49)29(14-45)61-41)5-8-26-19(2)31-28(59-26)12-23-21-7-6-20-11-27(24(46)13-44(20,4)22(21)9-10-43(23,31)3)60-42-39(55)36(52)34(50)30(62-42)17-58-40-37(53)32(48)25(47)16-57-40/h18,20-25,27-42,45-55H,5-17H2,1-4H3/t18?,20?,21?,22?,23?,24?,25?,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:18]([CH2:5][CH2:8][C:26]1=[C:19]([CH3:2])[CH:31]2[CH:28]([CH2:12][CH:23]3[CH:21]4[CH2:7][CH2:6][CH:20]5[CH2:11][CH:27]([O:60][CH:42]6[CH:39]([OH:55])[CH:36]([OH:52])[CH:34]([OH:50])[CH:30]([CH2:17][O:58][CH:40]7[CH:37]([OH:53])[CH:32]([OH:48])[CH:25]([OH:47])[CH2:16][O:57]7)[O:62]6)[CH:24]([OH:46])[CH2:13][C:44]5([CH3:4])[CH:22]4[CH2:9][CH2:10][C:43]32[CH3:3])[O:59]1)[CH2:15][O:56][CH:41]1[CH:38]([OH:54])[CH:35]([OH:51])[CH:33]([OH:49])[CH:29]([CH2:14][OH:45])[O:61]1 |
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