| Properties | Image |
|---|
| MNX_ID | MNXM1194767 |
 |
| reference | envipathM:...c1519cc7604e |
| formula | C41H61O18 |
| global charge | -1 |
| mol weight | 841.921 |
| InChIKey | AYOHKMMPNMVHSA-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O18/c1-17-34(49)24(43)12-31(54-17)57-35-25(44)13-33(56-27(35)15-42)58-36-26(45)14-32(59-37(36)38(50)51)55-20-9-19-4-5-22-23(39(19,2)28(46)10-20)11-29(47)40(3)21(6-7-41(22,40)52)18-8-30(48)53-16-18/h8,17,19-29,31-37,42-47,49,52H,4-7,9-16H2,1-3H3,(H,50,51)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C(=O)[O-])OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-34(49)24(43)12-31(54-17)57-35-25(44)13-33(56-27(35)15-42)58-36-26(45)14-32(59-37(36)38(50)51)55-20-9-19-4-5-22-23(39(19,2)28(46)10-20)11-29(47)40(3)21(6-7-41(22,40)52)18-8-30(48)53-16-18/h8,17,19-29,31-37,42-47,49,52H,4-7,9-16H2,1-3H3,(H,50,51)/t17?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:24]([OH:43])[CH2:12][CH:31]([O:57][CH:35]2[CH:25]([OH:44])[CH2:13][CH:33]([O:58][CH:36]3[CH:26]([OH:45])[CH2:14][CH:32]([O:55][CH:20]4[CH2:9][CH:19]5[CH2:4][CH2:5][CH:22]6[CH:23]([CH2:11][CH:29]([OH:47])[C:40]7([CH3:3])[CH:21]([C:18]8=[CH:8][C:30](=[O:48])[O:53][CH2:16]8)[CH2:6][CH2:7][C:41]67[OH:52])[C:39]5([CH3:2])[CH:28]([OH:46])[CH2:10]4)[O:59][CH:37]3[C:38](=[O:50])[OH:51])[O:56][CH:27]2[CH2:15][OH:42])[O:54]1 |
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