| Properties | Image |
|---|
| MNX_ID | MNXM1185143 |
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| reference | envipathM:...84659bfbec65 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | SKLZPLMSIDVLDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-17-25(42)11-24-36(27(44)12-31(48)41(17,51)22-10-32(49)52-16-22)26(43)9-21-8-23(6-7-40(21,24)5)56-33-14-29(46)38(19(3)54-33)58-35-15-30(47)39(20(4)55-35)57-34-13-28(45)37(50)18(2)53-34/h10,17-21,23-24,26,28-31,33-39,43,45-48,50-51H,6-9,11-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C(=O)CC(O)C(O)(C6=CC(=O)OC6)C(C)C(=O)CC45)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-25(42)11-24-36(27(44)12-31(48)41(17,51)22-10-32(49)52-16-22)26(43)9-21-8-23(6-7-40(21,24)5)56-33-14-29(46)38(19(3)54-33)58-35-15-30(47)39(20(4)55-35)57-34-13-28(45)37(50)18(2)53-34/h10,17-21,23-24,26,28-31,33-39,43,45-48,50-51H,6-9,11-16H2,1-5H3/t17?,18?,19?,20?,21?,23?,24?,26?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:25](=[O:42])[CH2:11][CH:24]2[CH:36]([CH:26]([OH:43])[CH2:9][CH:21]3[CH2:8][CH:23]([O:56][CH:33]4[CH2:14][CH:29]([OH:46])[CH:38]([O:58][CH:35]5[CH2:15][CH:30]([OH:47])[CH:39]([O:57][CH:34]6[CH2:13][CH:28]([OH:45])[CH:37]([OH:50])[CH:18]([CH3:2])[O:53]6)[CH:20]([CH3:4])[O:55]5)[CH:19]([CH3:3])[O:54]4)[CH2:6][CH2:7][C:40]32[CH3:5])[C:27](=[O:44])[CH2:12][CH:31]([OH:48])[C:41]1([C:22]1=[CH:10][C:32](=[O:49])[O:52][CH2:16]1)[OH:51] |
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