| Properties | Image |
|---|
| MNX_ID | MNXM1176855 |
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| reference | envipathM:...d09ec799a65d |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | WSFZYNMJNISDPQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-19-34(48)25(43)13-32(53-19)58-36-27(45)15-33(56-28(36)17-42)57-35-20(2)54-31(14-26(35)44)55-23-6-8-37(3)22(12-23)5-9-40(50)39(49)10-7-24(21-11-30(47)52-18-21)38(39,4)29(46)16-41(37,40)51/h19-26,28-29,31-36,42-44,46,48-51H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5(O)CC(O)C5(C)C(C7COC(=O)C7)CCC56O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-34(48)25(43)13-32(53-19)58-36-27(45)15-33(56-28(36)17-42)57-35-20(2)54-31(14-26(35)44)55-23-6-8-37(3)22(12-23)5-9-40(50)39(49)10-7-24(21-11-30(47)52-18-21)38(39,4)29(46)16-41(37,40)51/h19-26,28-29,31-36,42-44,46,48-51H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:48])[CH:25]([OH:43])[CH2:13][CH:32]([O:58][CH:36]2[C:27](=[O:45])[CH2:15][CH:33]([O:57][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:55][CH:23]4[CH2:6][CH2:8][C:37]5([CH3:3])[CH:22]([CH2:5][CH2:9][C:40]6([OH:50])[C:39]7([OH:49])[CH2:10][CH2:7][CH:24]([CH:21]8[CH2:11][C:30](=[O:47])[O:52][CH2:18]8)[C:38]7([CH3:4])[CH:29]([OH:46])[CH2:16][C:41]56[OH:51])[CH2:12]4)[CH2:14][CH:26]3[OH:44])[O:56][CH:28]2[CH2:17][OH:42])[O:53]1 |
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