| Properties | Image |
|---|
| MNX_ID | MNXM1194065 |
 |
| reference | envipathM:...3c1cac277ba3 |
| formula | C41H61O18 |
| global charge | -1 |
| mol weight | 841.921 |
| InChIKey | IOTDJKGKNJFAJF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O18/c1-18-32(47)23(42)12-30(54-18)58-34-25(44)14-31(59-35(34)36(48)49)57-33-19(2)55-29(13-24(33)43)56-21-5-8-37(3)39(50,15-21)9-7-26-40(51)10-6-22(20-11-28(46)53-17-20)38(40,4)27(45)16-41(26,37)52/h11,18-19,21-27,29-35,42-45,47,50-52H,5-10,12-17H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CCC6C7(O)CCC(C8=CC(=O)OC8)C7(C)C(O)CC65O)C4)OC3C)OC2C(=O)[O-])CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-18-32(47)23(42)12-30(54-18)58-34-25(44)14-31(59-35(34)36(48)49)57-33-19(2)55-29(13-24(33)43)56-21-5-8-37(3)39(50,15-21)9-7-26-40(51)10-6-22(20-11-28(46)53-17-20)38(40,4)27(45)16-41(26,37)52/h11,18-19,21-27,29-35,42-45,47,50-52H,5-10,12-17H2,1-4H3,(H,48,49)/t18?,19?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:32]([OH:47])[CH:23]([OH:42])[CH2:12][CH:30]([O:58][CH:34]2[CH:25]([OH:44])[CH2:14][CH:31]([O:57][CH:33]3[CH:19]([CH3:2])[O:55][CH:29]([O:56][CH:21]4[CH2:5][CH2:8][C:37]5([CH3:3])[C:39]([OH:50])([CH2:9][CH2:7][CH:26]6[C:40]7([OH:51])[CH2:10][CH2:6][CH:22]([C:20]8=[CH:11][C:28](=[O:46])[O:53][CH2:17]8)[C:38]7([CH3:4])[CH:27]([OH:45])[CH2:16][C:41]65[OH:52])[CH2:15]4)[CH2:13][CH:24]3[OH:43])[O:59][CH:35]2[C:36](=[O:48])[OH:49])[O:54]1 |
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