| Properties | Image |
|---|
| MNX_ID | MNXM126354 |
 |
| reference | hmdb:HMDB0039549 |
| formula | C47H80O17 |
| global charge | 0 |
| mol weight | 917.14 |
| InChIKey | ZTQSADJAYQOCDD-UHFFFAOYSA-N |
| InChI | InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3 |
| SMILES | CC(C)=CCCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C |
MNX internals
| InChI (mnx) | InChI=1/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44?,45?,46?,47? |
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| SMILES (mnx) | [CH3:1][C:22]([CH3:2])=[CH:10][CH2:9][CH2:14][C:47]([CH3:8])([CH:23]1[CH2:11][CH2:16][C:46]2([CH3:7])[CH:31]1[CH:24]([OH:49])[CH2:18][CH:29]1[C:44]3([CH3:5])[CH2:15][CH2:13][CH:30]([O:63][CH:41]4[CH:38]([OH:57])[CH:35]([OH:54])[CH:33]([OH:52])[CH:26]([CH2:19][OH:48])[O:61]4)[C:43]([CH3:3])([CH3:4])[CH:28]3[CH2:12][CH2:17][C:45]12[CH3:6])[O:64][CH:42]1[CH:39]([OH:58])[CH:36]([OH:55])[CH:34]([OH:53])[CH:27]([CH2:21][O:60][CH:40]2[CH:37]([OH:56])[CH:32]([OH:51])[CH:25]([OH:50])[CH2:20][O:59]2)[O:62]1 |
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