| Properties | Image |
|---|
| MNX_ID | MNXM1184609 |
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| reference | envipathM:...68ab04f3770b |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | YNDGSPZCSNOSRK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-18-35(49)27(44)14-32(53-18)57-37-20(3)55-33(17-52-38(37)50)58-36-19(2)54-31(15-28(36)45)56-23-6-8-39(4)22(11-23)12-26(43)34-25(39)13-29(46)40(5)24(7-9-41(34,40)51)21(16-42)10-30(47)48/h18-29,31-37,42-46,49,51H,6-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(C(CO)CC(=O)[O-])CCC34O)OC2C)COC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-18-35(49)27(44)14-32(53-18)57-37-20(3)55-33(17-52-38(37)50)58-36-19(2)54-31(15-28(36)45)56-23-6-8-39(4)22(11-23)12-26(43)34-25(39)13-29(46)40(5)24(7-9-41(34,40)51)21(16-42)10-30(47)48/h18-29,31-37,42-46,49,51H,6-17H2,1-5H3,(H,47,48)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:49])[CH:27]([OH:44])[CH2:14][CH:32]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:22]([CH2:11]4)[CH2:12][CH:26]([OH:43])[CH:34]4[CH:25]5[CH2:13][CH:29]([OH:46])[C:40]5([CH3:5])[CH:24]([CH:21]([CH2:10][C:30](=[O:47])[OH:48])[CH2:16][OH:42])[CH2:7][CH2:9][C:41]45[OH:51])[CH2:15][CH:28]3[OH:45])[CH2:17][O:52][C:38]2=[O:50])[O:53]1 |
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