| Properties | Image |
|---|
| MNX_ID | MNXM1180943 |
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| reference | envipathM:...cf5b925462a4 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | ULMHJVLDRKBFNA-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-17-36(51)26(44)13-33(53-17)57-38-19(3)55-34(15-28(38)46)58-37-18(2)54-32(14-27(37)45)56-22-9-21-10-25(43)35-24(39(21,4)29(47)11-22)12-30(48)40(5)23(6-7-41(35,40)52)20(16-42)8-31(49)50/h8,17-19,21-25,27-28,30,32-38,42-43,45-46,48,51-52H,6-7,9-16H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-17-36(51)26(44)13-33(53-17)57-38-19(3)55-34(15-28(38)46)58-37-18(2)54-32(14-27(37)45)56-22-9-21-10-25(43)35-24(39(21,4)29(47)11-22)12-30(48)40(5)23(6-7-41(35,40)52)20(16-42)8-31(49)50/h8,17-19,21-25,27-28,30,32-38,42-43,45-46,48,51-52H,6-7,9-16H2,1-5H3,(H,49,50)/b20-8?/t17?,18?,19?,21?,22?,23?,24?,25?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:51])[C:26](=[O:44])[CH2:13][CH:33]([O:57][CH:38]2[CH:19]([CH3:3])[O:55][CH:34]([O:58][CH:37]3[CH:18]([CH3:2])[O:54][CH:32]([O:56][CH:22]4[CH2:9][CH:21]5[CH2:10][CH:25]([OH:43])[CH:35]6[CH:24]([CH2:12][CH:30]([OH:48])[C:40]7([CH3:5])[CH:23]([C:20](=[CH:8][C:31](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:6][CH2:7][C:41]67[OH:52])[C:39]5([CH3:4])[C:29](=[O:47])[CH2:11]4)[CH2:14][CH:27]3[OH:45])[CH2:15][CH:28]2[OH:46])[O:53]1 |
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