[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
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[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Summary
[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate is a group of stereoisomers[1].
Key Facts
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's instance of is recorded as group of stereoisomers[2].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's canonical SMILES is recorded as O=C(OC1CC=2C(O)=CC(O)=CC2OC1C=3C=C(O)C(O)=C4C(=O)C(O)=CC(=CC43)C5OC=6C=C(O)C=C(O)C6CC5O)C7=CC(O)=C(O)C(O)=C7[3].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's InChI is recorded as InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)[4].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's InChIKey is recorded as GPLOTACQBREROW-UHFFFAOYSA-N[5].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's chemical formula is recorded as C₃₆H₂₈O₁₆[6].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's subclass of is recorded as chromane[7].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's PubChem CID is recorded as 15624170[8].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's PubChem CID is recorded as 135704008[9].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's found in taxon is recorded as Camellia sinensis[10].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's Human Metabolome Database ID is recorded as HMDB0032904[11].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+716.137734816'}[12].
- [5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate's SureChEMBL ID is recorded as 29373670[13].