Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Plicatic acid 16462-65-0 104836
Structure Other Information
Canonical SMILES COC1=CC(=CC(=C1O)O)C2C3=CC(=C(C=C3CC(C2(C(=O)O)O)(CO)O)OC)O
Iso SMILES COC1=CC(=CC(=C1O)O)[C@H]2C3=CC(=C(C=C3C[C@]([C@@]2(C(=O)O)O)(CO)O)OC)O
InChI InChI=1S/C20H22O10/c1-29-14-5-10-7-19(27,8-21)20(28,18(25)26)16(11(10)6-12(14)22)9-3-13(23)17(24)15(4-9)30-2/h3-6,16,21-24,27-28H,7-8H2,1-2H3,(H,25,26)/t16-,19+,20+/m0/s1
InChI Key PGFBYAIGHPJFFJ-PWIZWCRZSA-N
Formula C20H22O10
Mol Weight 422.383
XlogP3 0.9
Charge 0

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Synonyms Information
CAS Name (1S,2S,3R)-1-(3,4-dihydroxy-5-methoxyphenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,4-dihydronaphthalene-2-carboxylic acid
IUPAC Name (1S,2S,3R)-1-(3,4-dihydroxy-5-methoxy-phenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-tetralin-2-carboxylic acid
Openeye Name (1S,2S,3R)-1-(3,4-dihydroxy-5-methoxyphenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-1,4-dihydronaphthalene-2-carboxylic acid
Systematic Name (1S,2S,3R)-3-(hydroxymethyl)-6-methoxy-1-[3-methoxy-4,5-bis(oxidanyl)phenyl]-2,3,7-tris(oxidanyl)-1,4-dihydronaphthalene-2-carboxylic acid
Tratitional Name (1S,2S,3R)-3-(hydroxymethyl)-6-methoxy-1-[3-methoxy-4,5-bis(oxidanyl)phenyl]-2,3,7-tris(oxidanyl)-1,4-dihydronaphthalene-2-carboxylic acid