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| Standard English name | |
|---|---|
| Cas No. | 156031-88-8 |
| Alias | α-D-Glucopyranoside, 3-O-benzoyl-1-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-fructofuranosyl O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-, 6-acetate 4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] (9CI) |
| Canonical Smiles | CC(=O)OCC1OC(OC2(COC(=O)C=CC3C=C(OC)C(O)=CC=3)OC(CO)C(O)C2OC(=O)C2C=CC=CC=2)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(=O)C=CC1C=C(OC)C(O)=CC=1 |
| MDL No. | |
| Exact Mass | 1,164.35334 |
| Smiles | O=C(OCC1(OC2OC(COC(=O)C)C(OC(=O)C=CC3=CC=C(O)C(OC)=C3)C(OC4OC(CO)C(O)C(O)C4O)C2OC5OC(CO)C(O)C(O)C5O)OC(CO)C(O)C1OC(=O)C=6C=CC=CC6)C=CC7=CC=C(O)C(OC)=C7 |
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| Inchi | InChI=1S/C53H64O29/c1-24(57)72-22-35-45(77-37(61)16-12-26-10-14-29(59)31(18-26)71-3)46(78-50-43(67)41(65)38(62)32(19-54)74-50)47(79-51-44(68)42(66)39(63)33(20-55)75-51)52(76-35)82-53(23-73-36(60)15-11-25-9-13-28(58)30(17-25)70-2)48(40(64)34(21-56)81-53)80-49(69)27-7-5-4-6-8-27/h4-18,32-35,38-48,50-52,54-56,58-59,62-68H,19-23H2,1-3H3 |
| InchiKey | PCSSAXAXMOBEOT-UHFFFAOYSA-N |
| Remark |
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