| Properties | Image |
|---|
| MNX_ID | MNXM1182561 |
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| reference | envipathM:...6a402b451c2f |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | SWDHKMRWTGKKLH-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-19-36(57-33-15-28(46)37(20(2)54-33)58-34-13-26(44)35(50)29(18-43)56-34)27(45)14-32(53-19)55-22-5-8-38(3)25-12-30(47)39(4)23(21(17-42)11-31(48)49)7-10-41(39,52)24(25)6-9-40(38,51)16-22/h11,19-20,22-27,29-30,32-37,42-45,47,50-52H,5-10,12-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(C(=CC(=O)[O-])CO)CCC6(O)C5CCC4(O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-36(57-33-15-28(46)37(20(2)54-33)58-34-13-26(44)35(50)29(18-43)56-34)27(45)14-32(53-19)55-22-5-8-38(3)25-12-30(47)39(4)23(21(17-42)11-31(48)49)7-10-41(39,52)24(25)6-9-40(38,51)16-22/h11,19-20,22-27,29-30,32-37,42-45,47,50-52H,5-10,12-18H2,1-4H3,(H,48,49)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:57][CH:33]2[CH2:15][C:28](=[O:46])[CH:37]([O:58][CH:34]3[CH2:13][CH:26]([OH:44])[CH:35]([OH:50])[CH:29]([CH2:18][OH:43])[O:56]3)[CH:20]([CH3:2])[O:54]2)[CH:27]([OH:45])[CH2:14][CH:32]([O:55][CH:22]2[CH2:5][CH2:8][C:38]3([CH3:3])[CH:25]4[CH2:12][CH:30]([OH:47])[C:39]5([CH3:4])[CH:23]([C:21](=[CH:11][C:31](=[O:48])[OH:49])[CH2:17][OH:42])[CH2:7][CH2:10][C:41]5([OH:52])[CH:24]4[CH2:6][CH2:9][C:40]3([OH:51])[CH2:16]2)[O:53]1 |
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