Chem
J-GLOBAL ID:200907010872433703
Nikkaji number:J749.364I
L-Chicoric acid
L-キコル酸
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C22 H18 O12
Molecular formula furigana:
C22-H18-O12
Molecular weight:
474.374
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
InChI key:
YDDGKXBLOXEEMN-IABMMNSOSA-N
SMILES:
OC(=O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
Systematic name (4):
2-O,3-O-ビス[(E)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]-L-酒石酸
(2R,3R)-2,3-ビス[[(E)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]ブタン二酸
(2R,3R)-2,3-ビス({[(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ})ブタン二酸
(2R,3R)-2,3-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})butanedioic acid
Other name (9):
L-キコル酸
L-Chicoric acid
2-O,3-O-Bis[(E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-L-tartaric acid
(2R,3R)-2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]butanedioic acid
(2R,3R)-(-)-キコル酸
(2R,3R)-(-)-Chicoric acid
L-キコリン酸
(-)-キコル酸
(-)-Chicoric acid
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CAS registry number:
70831-56-0
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