4-[(2S,3R,4S,5S,6R)-6-[[(2Z,4E)-2,7-dimethyl-8,10-bis(oxidanyl)-10-oxidanylidene-deca-2,4-dienoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanylidene-1,3-dihydroquinoline-4-carboxylic acid

Systemtic Name: 4-[(2S,3R,4S,5S,6R)-6-[[(2Z,4E)-2,7-dimethyl-8,10-bis(oxidanyl)-10-oxidanylidene-deca-2,4-dienoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanylidene-1,3-dihydroquinoline-4-carboxylic acid Openeye Name: 4-[(2S,3R,4S,5S,6R)-6-[[(2Z,4E)-8,10-dihydroxy-2,7-dimethyl-10-oxo-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-oxo-1,3-dihydroquinoline-4-carboxylic acid CAS Name: 4-[[(2S,3R,4S,5S,6R)-6-[[(2Z,4E)-8,10-dihydroxy-2,7-dimethyl-1,10-dioxodeca-2,4-dienoxy]methyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxo-1,3-dihydroquinoline-4-carboxylic acid IUPAC Name: 4-[(2S,3R,4S,5S,6R)-6-[[(2Z,4E)-8,10-dihydroxy-2,7-dimethyl-10-oxodeca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-oxo-1,3-dihydroquinoline-4-carboxylic acid Traditional Name: 4-[(2S,3R,4S,5S,6R)-6-[[(2Z,4E)-8,10-dihydroxy-10-keto-2,7-dimethyl-deca-2,4-dienoyl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-keto-1,3-dihydroquinoline-4-carboxylic acid Formula: C28H35NO13 MolecularWeight: 593.5764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC=C(C)C(=O)OCC1C(C(C(C(O1)OC2(CC(=O)NC3=CC=CC=C32)C(=O)O)O)O)O)C(CC(=O)O)O

Isomeric SMILES

CC(C/C=C/C=C(/C)\C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2(CC(=O)NC3=CC=CC=C32)C(=O)O)O)O)O)C(CC(=O)O)O

InChI

InChI=1S/C28H35NO13/c1-14(18(30)11-21(32)33)7-3-4-8-15(2)25(37)40-13-19-22(34)23(35)24(36)26(41-19)42-28(27(38)39)12-20(31)29-17-10-6-5-9-16(17)28/h3-6,8-10,14,18-19,22-24,26,30,34-36H,7,11-13H2,1-2H3,(H,29,31)(H,32,33)(H,38,39)/b4-3+,15-8-/t14?,18?,19-,22-,23+,24-,26+,28?/m1/s1