| Properties | Image |
|---|
| MNX_ID | MNXM1191664 |
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| reference | envipathM:...d3ee5865d203 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | VXOSHLUYLABINL-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(50)26(44)14-32(53-18)59-37-20(3)55-33(16-30(49)57-37)58-36-19(2)54-31(15-27(36)45)56-23-6-7-38(4)21(10-23)11-25(43)34-24(38)13-28(46)39(5)40(51,8-9-41(34,39)52)22(17-42)12-29(47)48/h12,18-21,23-28,31-37,42-46,50-52H,6-11,13-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(O)(C(=CC(=O)[O-])CO)CCC34O)OC2C)CC(=O)OC1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(50)26(44)14-32(53-18)59-37-20(3)55-33(16-30(49)57-37)58-36-19(2)54-31(15-27(36)45)56-23-6-7-38(4)21(10-23)11-25(43)34-24(38)13-28(46)39(5)40(51,8-9-41(34,39)52)22(17-42)12-29(47)48/h12,18-21,23-28,31-37,42-46,50-52H,6-11,13-17H2,1-5H3,(H,47,48)/b22-12?/t18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,31?,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:26]([OH:44])[CH2:14][CH:32]([O:59][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][CH2:7][C:38]5([CH3:4])[CH:21]([CH2:10]4)[CH2:11][CH:25]([OH:43])[CH:34]4[CH:24]5[CH2:13][CH:28]([OH:46])[C:39]5([CH3:5])[C:40]([C:22](=[CH:12][C:29](=[O:47])[OH:48])[CH2:17][OH:42])([OH:51])[CH2:8][CH2:9][C:41]45[OH:52])[CH2:15][CH:27]3[OH:45])[CH2:16][C:30](=[O:49])[O:57]2)[O:53]1 |
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