| Properties | Image |
|---|
| MNX_ID | MNXM105142 |
 |
| reference | chebi:69816 |
| formula | C35H44O15 |
| global charge | 0 |
| mol weight | 704.722 |
| InChIKey | HILKKSGKHWLFAN-QWOHJRRRSA-N |
| InChI | InChI=1S/C35H44O15/c1-14-6-23-33(45,29(14)43)11-17(7-19-28-32(4,5)34(28,50-16(3)36)10-15(2)35(19,23)46)12-48-31-27(42)26(41)25(40)22(49-31)13-47-30(44)18-8-20(37)24(39)21(38)9-18/h6-9,15,19,22-23,25-28,31,37-42,45-46H,10-13H2,1-5H3/t15-,19+,22-,23-,25-,26+,27-,28-,31-,33-,34+,35-/m1/s1 |
| SMILES | CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO[C@@H]4O[C@H](COC(=O)C5=CC(O)=C(O)C(O)=C5)[C@@H](O)[C@H](O)[C@H]4O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C |
MNX internals
| InChI (mnx) | InChI=1/C35H44O15/c1-14-6-23-33(45,29(14)43)11-17(7-19-28-32(4,5)34(28,50-16(3)36)10-15(2)35(19,23)46)12-48-31-27(42)26(41)25(40)22(49-31)13-47-30(44)18-8-20(37)24(39)21(38)9-18/h6-9,15,19,22-23,25-28,31,37-42,45-46H,10-13H2,1-5H3/t15-,19+,22-,23-,25-,26+,27-,28-,31-,33-,34+,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[CH:6][C@@H:23]2[C@:33]([OH:45])([CH2:11][C:17]([CH2:12][O:48][C@H:31]3[C@H:27]([OH:42])[C@@H:26]([OH:41])[C@H:25]([OH:40])[C@@H:22]([CH2:13][O:47][C:30]([C:18]4=[CH:8][C:20]([OH:37])=[C:24]([OH:39])[C:21]([OH:38])=[CH:9]4)=[O:44])[O:49]3)=[CH:7][C@H:19]3[C@@H:28]4[C:32]([CH3:4])([CH3:5])[C@:34]4([O:50][C:16]([CH3:3])=[O:36])[CH2:10][C@@H:15]([CH3:2])[C@@:35]32[OH:46])[C:29]1=[O:43] |
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