| Properties | Image |
|---|
| MNX_ID | MNXM1188327 |
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| reference | envipathM:...36a7172e928d |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | PQZPFDXRKMXVHP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-34(49)23(43)11-32(54-17)58-36-19(3)56-33(13-25(36)45)59-35-18(2)55-31(12-24(35)44)57-20-8-21-22(42)10-27-40(51)7-6-26(39(50)15-30(48)53-16-39)38(40,5)29(47)14-41(27,52)37(21,4)28(46)9-20/h17-23,25-29,31-36,42-43,45-47,49-52H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(C2)C(O)CC2C3(O)CC(O)C3(C)C(C4(O)COC(=O)C4)CCC23O)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-34(49)23(43)11-32(54-17)58-36-19(3)56-33(13-25(36)45)59-35-18(2)55-31(12-24(35)44)57-20-8-21-22(42)10-27-40(51)7-6-26(39(50)15-30(48)53-16-39)38(40,5)29(47)14-41(27,52)37(21,4)28(46)9-20/h17-23,25-29,31-36,42-43,45-47,49-52H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:23]([OH:43])[CH2:11][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:20]4[CH2:8][CH:21]5[CH:22]([OH:42])[CH2:10][CH:27]6[C:40]7([OH:51])[CH2:7][CH2:6][CH:26]([C:39]8([OH:50])[CH2:15][C:30](=[O:48])[O:53][CH2:16]8)[C:38]7([CH3:5])[CH:29]([OH:47])[CH2:14][C:41]6([OH:52])[C:37]5([CH3:4])[CH:28]([OH:46])[CH2:9]4)[CH2:12][C:24]3=[O:44])[CH2:13][CH:25]2[OH:45])[O:54]1 |
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