| Properties | Image |
|---|
| MNX_ID | MNXM1191288 |
 |
| reference | envipathM:...9cac8a8cd68b |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | FQMKQFLIWPMFFZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-33(48)23(42)12-30(53-17)58-35-19(3)55-31(14-25(35)44)59-34-18(2)54-29(13-24(34)43)56-21-7-8-37(4)20(10-21)6-9-39(50)40(37,51)16-27(46)38(5)32(26(45)15-41(38,39)52)22-11-28(47)57-36(22)49/h11,17-21,23-27,29-36,42-46,48-52H,6-10,12-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5(O)CC(O)C5(C)C(C7=CC(=O)OC7O)C(O)CC56O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-33(48)23(42)12-30(53-17)58-35-19(3)55-31(14-25(35)44)59-34-18(2)54-29(13-24(34)43)56-21-7-8-37(4)20(10-21)6-9-39(50)40(37,51)16-27(46)38(5)32(26(45)15-41(38,39)52)22-11-28(47)57-36(22)49/h11,17-21,23-27,29-36,42-46,48-52H,6-10,12-16H2,1-5H3/t17?,18?,19?,20?,21?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:33]([OH:48])[CH:23]([OH:42])[CH2:12][CH:30]([O:58][CH:35]2[CH:19]([CH3:3])[O:55][CH:31]([O:59][CH:34]3[CH:18]([CH3:2])[O:54][CH:29]([O:56][CH:21]4[CH2:7][CH2:8][C:37]5([CH3:4])[CH:20]([CH2:6][CH2:9][C:39]6([OH:50])[C:40]5([OH:51])[CH2:16][CH:27]([OH:46])[C:38]5([CH3:5])[CH:32]([C:22]7=[CH:11][C:28](=[O:47])[O:57][CH:36]7[OH:49])[CH:26]([OH:45])[CH2:15][C:41]56[OH:52])[CH2:10]4)[CH2:13][CH:24]3[OH:43])[CH2:14][CH:25]2[OH:44])[O:53]1 |
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