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Inherent Properties, Identifiers and References
ChemSpider ID: 4954016
Empirical Formula: C21H18O7
Molecular Weight: 382.3634
Nominal Mass: 382 Da
Average Mass: 382.3634 Da
Monoisotopic Mass: 382.105253 Da
Systematic Name: (7R)-7-methyl-6,8-dioxo-3-[(1E)-prop-1-en-1-yl]-7,8-dihydro-6H-is​ochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
SMILES: O=C3\C=C/1\C=C(/O\C=C\1C(=O)[C@@]3(OC(=O)c2c(cc(O)cc2O)C)C)\C=C\C Copy
InChI: InChI=1/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14​)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+/t21​-/m1/s1 Copy
InChIKey: ZLULUXWJVBHEMS-KTBYTZPXBU
Std. InChI: InChI=1S/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-1​4)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+/t2​1-/m1/s1 Copy
Std. InChIKey: ZLULUXWJVBHEMS-KTBYTZPXSA-N
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