| Properties | Image |
MNX_ID | MNXM102096 |
 |
reference | chebi:70202 |
formula | C26H28O14 |
global charge | 0 |
mol weight | 564.496 |
InChIKey | KWYUKTMFRNMTME-XDUIEAMJSA-N |
InChI | InChI=1S/C26H28O14/c1-8-19(32)22(35)23(36)26(38-8)40-25-20(33)14(31)7-37-24(25)18-13(30)6-16-17(21(18)34)12(29)5-15(39-16)9-2-3-10(27)11(28)4-9/h2-6,8,14,19-20,22-28,30-36H,7H2,1H3/t8-,14+,19-,20-,22+,23+,24-,25+,26-/m0/s1 |
SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2C2=C(O)C=C3OC(C4=CC(O)=C(O)C=C4)=CC(=O)C3=C2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C26H28O14/c1-8-19(32)22(35)23(36)26(38-8)40-25-20(33)14(31)7-37-24(25)18-13(30)6-16-17(21(18)34)12(29)5-15(39-16)9-2-3-10(27)11(28)4-9/h2-6,8,14,19-20,22-28,30-36H,7H2,1H3/t8-,14+,19-,20-,22+,23+,24-,25+,26-/m0/s1 |
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SMILES (mnx) | [CH3:1][C@H:8]1[C@H:19]([OH:32])[C@@H:22]([OH:35])[C@@H:23]([OH:36])[C@H:26]([O:40][C@@H:25]2[C@@H:20]([OH:33])[C@H:14]([OH:31])[CH2:7][O:37][C@H:24]2[C:18]2=[C:21]([OH:34])[C:17]3=[C:16]([CH:6]=[C:13]2[OH:30])[O:39][C:15]([C:9]2=[CH:4][C:11]([OH:28])=[C:10]([OH:27])[CH:3]=[CH:2]2)=[CH:5][C:12]3=[O:29])[O:38]1 |
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