| Properties | Image |
|---|
| MNX_ID | MNXM733515 |
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| reference | biggM:14glucan |
| formula | C36H62O31 |
| global charge | 0 |
| mol weight | 990.861 |
| InChIKey | OCIBBXPLUVYKCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2 |
| SMILES | OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36? |
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| SMILES (mnx) | [CH2:1]([CH:7]1[CH:13]([OH:43])[CH:14]([OH:44])[CH:21]([OH:51])[CH:32]([O:64][CH:27]2[CH:9]([CH2:3][OH:39])[O:60][CH:34]([O:66][CH:29]3[CH:11]([CH2:5][OH:41])[O:62][CH:36]([O:67][CH:30]4[CH:12]([CH2:6][OH:42])[O:61][CH:35]([O:65][CH:28]5[CH:10]([CH2:4][OH:40])[O:59][CH:33]([O:63][CH:26]6[CH:8]([CH2:2][OH:38])[O:57][CH:31]([OH:56])[CH:20]([OH:50])[CH:15]6[OH:45])[CH:22]([OH:52])[CH:17]5[OH:47])[CH:24]([OH:54])[CH:19]4[OH:49])[CH:25]([OH:55])[CH:18]3[OH:48])[CH:23]([OH:53])[CH:16]2[OH:46])[O:58]1)[OH:37] |
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