| Properties | Image |
|---|
| MNX_ID | MNXM1183741 |
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| reference | envipathM:...e5d5345412f4 |
| formula | C41H64O18 |
| global charge | -2 |
| mol weight | 844.945 |
| InChIKey | OXJIARNZHAOLFE-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H66O18/c1-18-35(50)28(45)13-33(54-18)58-37-20(3)56-34(15-30(37)47)59-36-19(2)55-32(14-29(36)46)57-22-6-8-39(4)25(11-22)27(44)12-24(26(39)17-43)41(53)9-7-23(40(41,5)38(51)52)21(16-42)10-31(48)49/h10,18-20,22-30,32-37,42-47,50,53H,6-9,11-17H2,1-5H3,(H,48,49)(H,51,52)/p-2 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC(C4(O)CCC(C(=CC(=O)[O-])CO)C4(C)C(=O)[O-])C5CO)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-35(50)28(45)13-33(54-18)58-37-20(3)56-34(15-30(37)47)59-36-19(2)55-32(14-29(36)46)57-22-6-8-39(4)25(11-22)27(44)12-24(26(39)17-43)41(53)9-7-23(40(41,5)38(51)52)21(16-42)10-31(48)49/h10,18-20,22-30,32-37,42-47,50,53H,6-9,11-17H2,1-5H3,(H,48,49)(H,51,52)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[CH:28]([OH:45])[CH2:13][CH:33]([O:58][CH:37]2[CH:20]([CH3:3])[O:56][CH:34]([O:59][CH:36]3[CH:19]([CH3:2])[O:55][CH:32]([O:57][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:25]([CH2:11]4)[CH:27]([OH:44])[CH2:12][CH:24]([C:41]4([OH:53])[CH2:9][CH2:7][CH:23]([C:21](=[CH:10][C:31](=[O:48])[OH:49])[CH2:16][OH:42])[C:40]4([CH3:5])[C:38](=[O:51])[OH:52])[CH:26]5[CH2:17][OH:43])[CH2:14][CH:29]3[OH:46])[CH2:15][CH:30]2[OH:47])[O:54]1 |
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