| Properties | Image |
|---|
| MNX_ID | MNXM1171086 |
 |
| reference | envipathM:...fe53a76ab7b5 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | NGDKBUYCCGBQFJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(50)25(43)13-33(53-18)57-37-20(3)55-34(15-27(37)45)58-36-19(2)54-32(14-26(36)44)56-23-11-22-6-8-40(51)28(39(22,5)59-31(49)12-23)16-29(46)38(4)24(7-9-41(38,40)52)21(17-42)10-30(47)48/h10,18-20,22-29,32-37,42-46,50-52H,6-9,11-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)OC5(C)C(CCC6(O)C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(50)25(43)13-33(53-18)57-37-20(3)55-34(15-27(37)45)58-36-19(2)54-32(14-26(36)44)56-23-11-22-6-8-40(51)28(39(22,5)59-31(49)12-23)16-29(46)38(4)24(7-9-41(38,40)52)21(17-42)10-30(47)48/h10,18-20,22-29,32-37,42-46,50-52H,6-9,11-17H2,1-5H3,(H,47,48)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:50])[CH:25]([OH:43])[CH2:13][CH:33]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:23]4[CH2:11][CH:22]5[CH2:6][CH2:8][C:40]6([OH:51])[CH:28]([CH2:16][CH:29]([OH:46])[C:38]7([CH3:4])[CH:24]([C:21](=[CH:10][C:30](=[O:47])[OH:48])[CH2:17][OH:42])[CH2:7][CH2:9][C:41]76[OH:52])[C:39]5([CH3:5])[O:59][C:31](=[O:49])[CH2:12]4)[CH2:14][CH:26]3[OH:44])[CH2:15][CH:27]2[OH:45])[O:53]1 |
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