| Properties | Image |
|---|
| MNX_ID | MNXM1180616 |
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| reference | envipathM:...b004851b241d |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | MEYFIGZKBSJWDE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)23(42)12-32(54-17)58-36-19(3)56-33(14-25(36)44)59-35-18(2)55-31(13-24(35)43)57-22-8-20-9-29(47)41(52)26(37(20,4)27(45)11-22)15-28(46)38(5)39(50,6-7-40(38,41)51)21-10-30(48)53-16-21/h10,17-20,22-29,31-33,35-36,42-47,50-52H,6-9,11-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)CC(O)C4(O)C5CC(O)C5(C)C(O)(C6=CC(=O)OC6)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)23(42)12-32(54-17)58-36-19(3)56-33(14-25(36)44)59-35-18(2)55-31(13-24(35)43)57-22-8-20-9-29(47)41(52)26(37(20,4)27(45)11-22)15-28(46)38(5)39(50,6-7-40(38,41)51)21-10-30(48)53-16-21/h10,17-20,22-29,31-33,35-36,42-47,50-52H,6-9,11-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:34](=[O:49])[CH:23]([OH:42])[CH2:12][CH:32]([O:58][CH:36]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:22]4[CH2:8][CH:20]5[CH2:9][CH:29]([OH:47])[C:41]6([OH:52])[CH:26]([CH2:15][CH:28]([OH:46])[C:38]7([CH3:5])[C:39]([C:21]8=[CH:10][C:30](=[O:48])[O:53][CH2:16]8)([OH:50])[CH2:6][CH2:7][C:40]76[OH:51])[C:37]5([CH3:4])[CH:27]([OH:45])[CH2:11]4)[CH2:13][CH:24]3[OH:43])[CH2:14][CH:25]2[OH:44])[O:54]1 |
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