| Properties | Image |
|---|
| MNX_ID | MNXM128771 |
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| reference | chebi:143055 |
| formula | C48H82O19 |
| global charge | 0 |
| mol weight | 963.165 |
| InChIKey | XYDGLABNHGXTRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3 |
| SMILES | CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC12C |
MNX internals
| InChI (mnx) | InChI=1/C48H82O19/c1-21(2)10-9-13-48(8,67-43-37(60)34(57)32(55)26(19-50)64-43)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-41-38(61)35(58)39(27(20-51)65-41)66-42-36(59)33(56)31(54)25(18-49)63-42/h10,22-43,49-61H,9,11-20H2,1-8H3/t22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,45?,46?,47?,48? |
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| SMILES (mnx) | [CH3:1][C:21]([CH3:2])=[CH:10][CH2:9][CH2:13][C:48]([CH3:8])([CH:22]1[CH2:11][CH2:15][C:46]2([CH3:6])[CH:30]1[CH:23]([OH:52])[CH2:16][CH:28]1[C:45]3([CH3:5])[CH2:14][CH2:12][CH:29]([OH:53])[C:44]([CH3:3])([CH3:4])[CH:40]3[CH:24]([O:62][CH:41]3[CH:38]([OH:61])[CH:35]([OH:58])[CH:39]([O:66][CH:42]4[CH:36]([OH:59])[CH:33]([OH:56])[CH:31]([OH:54])[CH:25]([CH2:18][OH:49])[O:63]4)[CH:27]([CH2:20][OH:51])[O:65]3)[CH2:17][C:47]12[CH3:7])[O:67][CH:43]1[CH:37]([OH:60])[CH:34]([OH:57])[CH:32]([OH:55])[CH:26]([CH2:19][OH:50])[O:64]1 |
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