| Properties | Image |
|---|
| MNX_ID | MNXM1139093 |
 |
| reference | envipathM:...1188f897b93a |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | AKHRIFHVGYFBPK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-33(47)26(43)14-31(52-18)57-36-20(3)54-32(16-28(36)45)58-35-19(2)53-30(15-27(35)44)56-22-7-10-38(5)25-13-29(46)39(6)24(34(48)37(49)55-21(4)42)9-12-41(39,51)23(25)8-11-40(38,50)17-22/h18-20,22-28,30-33,35-37,43-45,47,49-51H,7-17H2,1-6H3 |
| SMILES | CC(=O)OC(O)C(=O)C1CCC2(O)C3CCC4(O)CC(OC5CC(O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(=O)C12C |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-33(47)26(43)14-31(52-18)57-36-20(3)54-32(16-28(36)45)58-35-19(2)53-30(15-27(35)44)56-22-7-10-38(5)25-13-29(46)39(6)24(34(48)37(49)55-21(4)42)9-12-41(39,51)23(25)8-11-40(38,50)17-22/h18-20,22-28,30-33,35-37,43-45,47,49-51H,7-17H2,1-6H3/t18?,19?,20?,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:18]1[CH:33]([OH:47])[CH:26]([OH:43])[CH2:14][CH:31]([O:57][CH:36]2[CH:20]([CH3:3])[O:54][CH:32]([O:58][CH:35]3[CH:19]([CH3:2])[O:53][CH:30]([O:56][CH:22]4[CH2:7][CH2:10][C:38]5([CH3:5])[CH:25]6[CH2:13][C:29](=[O:46])[C:39]7([CH3:6])[CH:24]([C:34]([CH:37]([OH:49])[O:55][C:21]([CH3:4])=[O:42])=[O:48])[CH2:9][CH2:12][C:41]7([OH:51])[CH:23]6[CH2:8][CH2:11][C:40]5([OH:50])[CH2:17]4)[CH2:15][CH:27]3[OH:44])[CH2:16][CH:28]2[OH:45])[O:52]1 |
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