4-[[5-[3-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[3-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[3-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-oxo-propyl]-2-hydroxy-anilino]-4-oxo-butanoic acid CAS Name: 4-[5-[3-[2,4-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-oxopropyl]-2-hydroxyanilino]-4-oxobutanoic acid IUPAC Name: 4-[5-[3-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-oxopropyl]-2-hydroxyanilino]-4-oxobutanoic acid Traditional Name: 4-[5-[3-[2,4-dihydroxy-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-phenyl]-3-keto-propyl]-2-hydroxy-anilino]-4-keto-butyric acid Formula: C25H29NO13 MolecularWeight: 551.49666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)NC(=O)CCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C25H29NO13/c27-10-18-22(35)23(36)24(37)25(39-18)38-17-9-12(28)8-16(31)21(17)15(30)4-2-11-1-3-14(29)13(7-11)26-19(32)5-6-20(33)34/h1,3,7-9,18,22-25,27-29,31,35-37H,2,4-6,10H2,(H,26,32)(H,33,34)