| Properties | Image |
|---|
| MNX_ID | MNXM1172150 |
 |
| reference | envipathM:...8f84b9c2f6b1 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | NICVUZPHPWXVHQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-34(47)27(42)14-32(53-18)57-36-20(3)55-33(16-29(36)44)58-35-19(2)54-31(15-28(35)43)56-22-8-10-39(4)21(12-22)6-7-25-26(39)17-52-38(50)40(5)24(9-11-41(25,40)51)23(37(48)49)13-30(45)46/h13,18-22,24-29,31-33,35-37,42-44,48-49,51H,6-12,14-17H2,1-5H3,(H,45,46)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5COC(=O)C5(C)C(C(=CC(=O)[O-])C(O)O)CCC65O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-34(47)27(42)14-32(53-18)57-36-20(3)55-33(16-29(36)44)58-35-19(2)54-31(15-28(35)43)56-22-8-10-39(4)21(12-22)6-7-25-26(39)17-52-38(50)40(5)24(9-11-41(25,40)51)23(37(48)49)13-30(45)46/h13,18-22,24-29,31-33,35-37,42-44,48-49,51H,6-12,14-17H2,1-5H3,(H,45,46)/b23-13?/t18?,19?,20?,21?,22?,24?,25?,26?,27?,28?,29?,31?,32?,33?,35?,36?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:34](=[O:47])[CH:27]([OH:42])[CH2:14][CH:32]([O:57][CH:36]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:22]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:25]6[CH:26]5[CH2:17][O:52][C:38](=[O:50])[C:40]5([CH3:5])[CH:24]([C:23](=[CH:13][C:30](=[O:45])[OH:46])[CH:37]([OH:48])[OH:49])[CH2:9][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:15][CH:28]3[OH:43])[CH2:16][CH:29]2[OH:44])[O:53]1 |
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