| Properties | Image |
|---|
| MNX_ID | MNXM1189664 |
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| reference | envipathM:...550f3722e097 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | RNISNJGGJONIPZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-33(49)22(43)10-30(54-18)58-34-19(2)55-31(11-23(34)44)59-35-24(45)12-32(57-26(35)16-42)56-21-6-7-37(3)20(9-21)5-8-40(51)27(37)13-28(47)38(4)36(25(46)14-41(38,40)52)39(50)15-29(48)53-17-39/h18-24,26-28,30-36,42-45,47,49-52H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C7(O)COC(=O)C7)C(=O)CC65O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-33(49)22(43)10-30(54-18)58-34-19(2)55-31(11-23(34)44)59-35-24(45)12-32(57-26(35)16-42)56-21-6-7-37(3)20(9-21)5-8-40(51)27(37)13-28(47)38(4)36(25(46)14-41(38,40)52)39(50)15-29(48)53-17-39/h18-24,26-28,30-36,42-45,47,49-52H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:49])[CH:22]([OH:43])[CH2:10][CH:30]([O:58][CH:34]2[CH:19]([CH3:2])[O:55][CH:31]([O:59][CH:35]3[CH:24]([OH:45])[CH2:12][CH:32]([O:56][CH:21]4[CH2:6][CH2:7][C:37]5([CH3:3])[CH:20]([CH2:5][CH2:8][C:40]6([OH:51])[CH:27]5[CH2:13][CH:28]([OH:47])[C:38]5([CH3:4])[CH:36]([C:39]7([OH:50])[CH2:15][C:29](=[O:48])[O:53][CH2:17]7)[C:25](=[O:46])[CH2:14][C:41]56[OH:52])[CH2:9]4)[O:57][CH:26]3[CH2:16][OH:42])[CH2:11][CH:23]2[OH:44])[O:54]1 |
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