| Properties | Image |
|---|
| MNX_ID | MNXM1184669 |
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| reference | envipathM:...60eda3a75096 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | SLIXJUZHGBRBPK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-35(58-31-12-24(45)36(18(2)55-31)59-32-10-22(43)34(50)27(15-42)57-32)23(44)11-30(54-17)56-21-5-6-38(3)20(8-21)9-25(46)37-40(38,51)14-28(48)39(4)33(19-7-29(49)53-16-19)26(47)13-41(37,39)52/h7,17-18,20-28,30-33,35-37,42-48,51-52H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4(O)CC(O)C4(C)C(C5=CC(=O)OC5)C(O)CC34O)OC2C)CC(O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-35(58-31-12-24(45)36(18(2)55-31)59-32-10-22(43)34(50)27(15-42)57-32)23(44)11-30(54-17)56-21-5-6-38(3)20(8-21)9-25(46)37-40(38,51)14-28(48)39(4)33(19-7-29(49)53-16-19)26(47)13-41(37,39)52/h7,17-18,20-28,30-33,35-37,42-48,51-52H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([O:58][CH:31]2[CH2:12][CH:24]([OH:45])[CH:36]([O:59][CH:32]3[CH2:10][CH:22]([OH:43])[C:34](=[O:50])[CH:27]([CH2:15][OH:42])[O:57]3)[CH:18]([CH3:2])[O:55]2)[CH:23]([OH:44])[CH2:11][CH:30]([O:56][CH:21]2[CH2:5][CH2:6][C:38]3([CH3:3])[CH:20]([CH2:8]2)[CH2:9][CH:25]([OH:46])[CH:37]2[C:40]3([OH:51])[CH2:14][CH:28]([OH:48])[C:39]3([CH3:4])[CH:33]([C:19]4=[CH:7][C:29](=[O:49])[O:53][CH2:16]4)[CH:26]([OH:47])[CH2:13][C:41]23[OH:52])[O:54]1 |
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