| Properties | Image |
|---|
| MNX_ID | MNXM49277 |
 |
| reference | chebi:4472 |
| formula | C34H33NO15 |
| global charge | 0 |
| mol weight | 695.63 |
| InChIKey | PRUXMUKWYBVNMB-OVAHQGMASA-N |
| InChI | InChI=1S/C34H33NO15/c1-9-5-16-21(27(41)18(9)32(45)35-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(36)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10?,11-,23+,26+,29+,30-,31+,34+/m1/s1 |
| SMILES | COC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(O)=C1C(=C3)[C@H](O)[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C2=C1C(O)=C(C(=O)NC(C)C(=O)O)C(C)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C34H33NO15/c1-9-5-16-21(27(41)18(9)32(45)35-10(2)33(46)47)20-14(26(40)31(16)50-34-30(44)29(43)23(37)11(3)49-34)8-15-22(28(20)42)25(39)13-6-12(48-4)7-17(36)19(13)24(15)38/h5-8,10-11,23,26,29-31,34,36-37,40-44H,1-4H3,(H,35,45)(H,46,47)/t10?,11-,23+,26+,29+,30-,31+,34+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:9]1=[CH:5][C:16]2=[C:21]([C:20]3=[C:14]([CH:8]=[C:15]4[C:22](=[C:28]3[OH:42])[C:25](=[O:39])[C:13]3=[C:19]([C:17]([OH:36])=[CH:7][C:12]([O:48][CH3:4])=[CH:6]3)[C:24]4=[O:38])[C@H:26]([OH:40])[C@H:31]2[O:50][C@H:34]2[C@H:30]([OH:44])[C@@H:29]([OH:43])[C@@H:23]([OH:37])[C@@H:11]([CH3:3])[O:49]2)[C:27]([OH:41])=[C:18]1[C:32](=[N:35][CH:10]([CH3:2])[C:33](=[O:46])[OH:47])[OH:45] |
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