| Properties | Image |
|---|
| MNX_ID | MNXM1183056 |
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| reference | envipathM:...516c194fa84b |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | NNOXKAXMOPEKOV-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-19-34(48)37(49)52-17-33(53-19)58-36-21(3)55-32(15-27(36)44)57-35-20(2)54-31(14-26(35)43)56-23-8-10-38(4)22(12-23)6-7-24-25(38)13-29(45)39(5)28(9-11-41(24,39)51)40(50,18-42)16-30(46)47/h19-29,31-36,42-45,48,50-51H,6-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(O)(CO)CC(=O)[O-])CCC65O)C4)OC3C)OC2C)COC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-19-34(48)37(49)52-17-33(53-19)58-36-21(3)55-32(15-27(36)44)57-35-20(2)54-31(14-26(35)43)56-23-8-10-38(4)22(12-23)6-7-24-25(38)13-29(45)39(5)28(9-11-41(24,39)51)40(50,18-42)16-30(46)47/h19-29,31-36,42-45,48,50-51H,6-18H2,1-5H3,(H,46,47)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:48])[C:37](=[O:49])[O:52][CH2:17][CH:33]([O:58][CH:36]2[CH:21]([CH3:3])[O:55][CH:32]([O:57][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:8][CH2:10][C:38]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:24]6[CH:25]5[CH2:13][CH:29]([OH:45])[C:39]5([CH3:5])[CH:28]([C:40]([CH2:16][C:30](=[O:46])[OH:47])([CH2:18][OH:42])[OH:50])[CH2:9][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:14][CH:26]3[OH:43])[CH2:15][CH:27]2[OH:44])[O:53]1 |
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