| Properties | Image |
|---|
| MNX_ID | MNXM1183377 |
 |
| reference | envipathM:...c4dce7184ba1 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | FZIHMLNPGQOHRE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-37(57-33-13-26(45)38(18(2)54-33)58-34-11-24(43)36(50)28(15-42)56-34)25(44)12-32(53-17)55-21-8-20-5-6-22-23(39(20,3)29(47)9-21)10-30(48)40(4)35(19-7-31(49)52-16-19)27(46)14-41(22,40)51/h7,17-18,20-30,32-35,37-38,42-48,51H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5C4CC(O)C4(C)C(C6=CC(=O)OC6)C(O)CC54O)C3)OC2C)CC(O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-37(57-33-13-26(45)38(18(2)54-33)58-34-11-24(43)36(50)28(15-42)56-34)25(44)12-32(53-17)55-21-8-20-5-6-22-23(39(20,3)29(47)9-21)10-30(48)40(4)35(19-7-31(49)52-16-19)27(46)14-41(22,40)51/h7,17-18,20-30,32-35,37-38,42-48,51H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:37]([O:57][CH:33]2[CH2:13][CH:26]([OH:45])[CH:38]([O:58][CH:34]3[CH2:11][CH:24]([OH:43])[C:36](=[O:50])[CH:28]([CH2:15][OH:42])[O:56]3)[CH:18]([CH3:2])[O:54]2)[CH:25]([OH:44])[CH2:12][CH:32]([O:55][CH:21]2[CH2:8][CH:20]3[CH2:5][CH2:6][CH:22]4[CH:23]([CH2:10][CH:30]([OH:48])[C:40]5([CH3:4])[CH:35]([C:19]6=[CH:7][C:31](=[O:49])[O:52][CH2:16]6)[CH:27]([OH:46])[CH2:14][C:41]45[OH:51])[C:39]3([CH3:3])[CH:29]([OH:47])[CH2:9]2)[O:53]1 |
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