| Properties | Image |
|---|
| MNX_ID | MNXM126076 |
 |
| reference | hmdb:HMDB0039548 |
| formula | C55H92O23 |
| global charge | 0 |
| mol weight | 1121.318 |
| InChIKey | HAJTYGKLQDXTPO-UHFFFAOYSA-N |
| InChI | InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)39(63)31(75-49)23-72-47-43(67)36(60)28(59)21-71-47)26-12-17-54(8)35(26)27(58)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)37(61)29(20-56)73-50)77-48-44(68)40(64)38(62)30(74-48)22-70-25(3)57/h11,26-50,56,58-69H,10,12-23H2,1-9H3 |
| SMILES | CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CCC=C(C)C)OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)39(63)31(75-49)23-72-47-43(67)36(60)28(59)21-71-47)26-12-17-54(8)35(26)27(58)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)37(61)29(20-56)73-50)77-48-44(68)40(64)38(62)30(74-48)22-70-25(3)57/h11,26-50,56,58-69H,10,12-23H2,1-9H3/t26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,52?,53?,54?,55? |
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| SMILES (mnx) | [CH3:1][C:24]([CH3:2])=[CH:11][CH2:10][CH2:15][C:55]([CH3:9])([CH:26]1[CH2:12][CH2:17][C:54]2([CH3:8])[CH:35]1[CH:27]([OH:58])[CH2:19][CH:33]1[C:52]3([CH3:6])[CH2:16][CH2:14][CH:34]([O:76][CH:50]4[CH:46]([O:77][CH:48]5[CH:44]([OH:68])[CH:40]([OH:64])[CH:38]([OH:62])[CH:30]([CH2:22][O:70][C:25]([CH3:3])=[O:57])[O:74]5)[CH:42]([OH:66])[CH:37]([OH:61])[CH:29]([CH2:20][OH:56])[O:73]4)[C:51]([CH3:4])([CH3:5])[CH:32]3[CH2:13][CH2:18][C:53]12[CH3:7])[O:78][CH:49]1[CH:45]([OH:69])[CH:41]([OH:65])[CH:39]([OH:63])[CH:31]([CH2:23][O:72][CH:47]2[CH:43]([OH:67])[CH:36]([OH:60])[CH:28]([OH:59])[CH2:21][O:71]2)[O:75]1 |
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