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菊苣酸
Chicoric acid
L-CHICORIC ACID, CHICHORIC ACID, CICHORINIC ACID, chicoric acid, Cichoric acid
CAS号: 6537-80-0
IUPAC名称: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
分子式: C22H18O12
分子量: 474.371
InChI: InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
InChIKey: YDDGKXBLOXEEMN-IABMMNSOSA-N
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O
EINECS: -
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