| Properties | Image |
|---|
| MNX_ID | MNXM151570 |
 |
| reference | chebi:75420 |
| formula | C37H38O19 |
| global charge | 0 |
| mol weight | 786.692 |
| InChIKey | HPGBQVVVFYXYSD-CSZGJEGXSA-N |
| InChI | InChI=1S/C37H38O19/c1-51-20-9-18(41)17(40)8-15(20)4-7-26(43)52-13-25-30(45)33(48)35(50)37(56-25)55-23-11-22-27(19(42)10-21(53-22)14-2-5-16(39)6-3-14)31(46)28(23)36-34(49)32(47)29(44)24(12-38)54-36/h2-11,24-25,29-30,32-41,44-50H,12-13H2,1H3/b7-4+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1 |
| SMILES | COC1=C(/C=C/C(=O)OC[C@H]2OC(OC3=CC4=C(C(=O)C=C(C5=CC=C(O)C=C5)O4)C(O)=C3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)C=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C37H38O19/c1-51-20-9-18(41)17(40)8-15(20)4-7-26(43)52-13-25-30(45)33(48)35(50)37(56-25)55-23-11-22-27(19(42)10-21(53-22)14-2-5-16(39)6-3-14)31(46)28(23)36-34(49)32(47)29(44)24(12-38)54-36/h2-11,24-25,29-30,32-41,44-50H,12-13H2,1H3/b7-4+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:51][C:20]1=[CH:9][C:18]([OH:41])=[C:17]([OH:40])[CH:8]=[C:15]1/[CH:4]=[CH:7]/[C:26](=[O:43])[O:52][CH2:13][C@@H:25]1[C@@H:30]([OH:45])[C@H:33]([OH:48])[C@@H:35]([OH:50])[CH:37]([O:55][C:23]2=[CH:11][C:22]3=[C:27]([C:19](=[O:42])[CH:10]=[C:21]([C:14]4=[CH:3][CH:6]=[C:16]([OH:39])[CH:5]=[CH:2]4)[O:53]3)[C:31]([OH:46])=[C:28]2[C@H:36]2[C@H:34]([OH:49])[C@@H:32]([OH:47])[C@H:29]([OH:44])[C@@H:24]([CH2:12][OH:38])[O:54]2)[O:56]1 |
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