| Properties | Image |
|---|
| MNX_ID | MNXM1185315 |
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| reference | envipathM:...6184f9aa5421 |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | YXMMBJSYPKQNFA-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-34(50)25(43)13-32(54-18)58-36-20(3)56-33(15-27(36)45)59-35-19(2)55-31(14-26(35)44)57-23-11-22-6-8-40(52)39(51)9-7-24(21(17-42)10-30(48)49)38(39,5)29(47)16-41(40,53)37(22,4)28(46)12-23/h10,18-20,22-27,29,31-36,42-45,47,50-53H,6-9,11-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(CCC6(O)C5(O)CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC56O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-34(50)25(43)13-32(54-18)58-36-20(3)56-33(15-27(36)45)59-35-19(2)55-31(14-26(35)44)57-23-11-22-6-8-40(52)39(51)9-7-24(21(17-42)10-30(48)49)38(39,5)29(47)16-41(40,53)37(22,4)28(46)12-23/h10,18-20,22-27,29,31-36,42-45,47,50-53H,6-9,11-17H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:50])[CH:25]([OH:43])[CH2:13][CH:32]([O:58][CH:36]2[CH:20]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:19]([CH3:2])[O:55][CH:31]([O:57][CH:23]4[CH2:11][CH:22]5[CH2:6][CH2:8][C:40]6([OH:52])[C:39]7([OH:51])[CH2:9][CH2:7][CH:24]([C:21](=[CH:10][C:30](=[O:48])[OH:49])[CH2:17][OH:42])[C:38]7([CH3:5])[CH:29]([OH:47])[CH2:16][C:41]6([OH:53])[C:37]5([CH3:4])[C:28](=[O:46])[CH2:12]4)[CH2:14][CH:26]3[OH:44])[CH2:15][CH:27]2[OH:45])[O:54]1 |
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