| Properties | Image |
|---|
| MNX_ID | MNXM1172399 |
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| reference | envipathM:...3e00d5d712a7 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | WLUDETLCVFKTMG-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-36(50)27(43)14-33(52-18)57-37-19(2)53-34(15-28(37)44)58-38-20(3)54-35(16-32(49)56-38)55-23-11-22-6-7-25-26(39(22,4)29(45)12-23)13-30(46)40(5)24(8-9-41(25,40)51)21(17-42)10-31(47)48/h10,18-20,22-28,30,33-38,42-44,46,50-51H,6-9,11-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CC(=O)C3(C)C(CCC4C3CC(O)C3(C)C(C(=CC(=O)[O-])CO)CCC43O)C2)CC(=O)OC1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(50)27(43)14-33(52-18)57-37-19(2)53-34(15-28(37)44)58-38-20(3)54-35(16-32(49)56-38)55-23-11-22-6-7-25-26(39(22,4)29(45)12-23)13-30(46)40(5)24(8-9-41(25,40)51)21(17-42)10-31(47)48/h10,18-20,22-28,30,33-38,42-44,46,50-51H,6-9,11-17H2,1-5H3,(H,47,48)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:50])[CH:27]([OH:43])[CH2:14][CH:33]([O:57][CH:37]2[CH:19]([CH3:2])[O:53][CH:34]([O:58][CH:38]3[CH:20]([CH3:3])[O:54][CH:35]([O:55][CH:23]4[CH2:11][CH:22]5[CH2:6][CH2:7][CH:25]6[CH:26]([CH2:13][CH:30]([OH:46])[C:40]7([CH3:5])[CH:24]([C:21](=[CH:10][C:31](=[O:47])[OH:48])[CH2:17][OH:42])[CH2:8][CH2:9][C:41]67[OH:51])[C:39]5([CH3:4])[C:29](=[O:45])[CH2:12]4)[CH2:16][C:32](=[O:49])[O:56]3)[CH2:15][CH:28]2[OH:44])[O:52]1 |
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