| Properties | Image |
|---|
| MNX_ID | MNXM1370064 |
 |
| reference | chebi:168666 |
| formula | C38H48O19 |
| global charge | 0 |
| mol weight | 808.783 |
| InChIKey | ABEPLDYBWOKMCT-PUWSOPCHSA-N |
| InChI | InChI=1S/C38H48O19/c1-13(2)5-10-18-20(53-37-31(50)28(47)25(44)21(12-39)54-37)11-19(41)22-26(45)34(32(55-33(18)22)16-6-8-17(40)9-7-16)56-38-35(29(48)24(43)15(4)52-38)57-36-30(49)27(46)23(42)14(3)51-36/h5-9,11,14-15,21,23-25,27-31,35-44,46-50H,10,12H2,1-4H3/t14?,15?,21?,23-,24-,25+,27?,28-,29?,30-,31?,35-,36-,37+,38-/m0/s1 |
| SMILES | CC(C)=CCC1=C(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=C(O[C@@H]1OC(C)[C@H](O)C(O)[C@@H]1O[C@@H]1OC(C)[C@H](O)C(O)[C@@H]1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C38H48O19/c1-13(2)5-10-18-20(53-37-31(50)28(47)25(44)21(12-39)54-37)11-19(41)22-26(45)34(32(55-33(18)22)16-6-8-17(40)9-7-16)56-38-35(29(48)24(43)15(4)52-38)57-36-30(49)27(46)23(42)14(3)51-36/h5-9,11,14-15,21,23-25,27-31,35-44,46-50H,10,12H2,1-4H3/t14?,15?,21?,23-,24-,25+,27?,28-,29?,30-,31?,35-,36-,37+,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:5][CH2:10][C:18]1=[C:20]([O:53][C@H:37]2[CH:31]([OH:50])[C@@H:28]([OH:47])[C@H:25]([OH:44])[CH:21]([CH2:12][OH:39])[O:54]2)[CH:11]=[C:19]([OH:41])[C:22]2=[C:33]1[O:55][C:32]([C:16]1=[CH:7][CH:9]=[C:17]([OH:40])[CH:8]=[CH:6]1)=[C:34]([O:56][C@H:38]1[C@@H:35]([O:57][C@H:36]3[C@@H:30]([OH:49])[CH:27]([OH:46])[C@@H:23]([OH:42])[CH:14]([CH3:3])[O:51]3)[CH:29]([OH:48])[C@@H:24]([OH:43])[CH:15]([CH3:4])[O:52]1)[C:26]2=[O:45] |
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