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CHEBI:232586 - 1,3,5-Tricaffeoylquinic acid

Default Structure
ChEBI IDCHEBI:232586
ChEBI Name1,3,5-Tricaffeoylquinic acid
Stars
Definition1,3,5-Tricaffeoylquinic acid is a tricaffeoylquinic acid derivative isolated from H. populifolium with anti-HIV effect.
Submitterruixy
DownloadsMolfile
FormulaC34H30O15
Net Charge0
Average Mass678.599
Monoisotopic Mass678.15847
SMILES[H]/C(C(=O)OC1(C(=O)O)C[C@@]([H])(OC(=O)/C([H])=C(\[H])c2ccc(O)c(O)c2)C([H])(O)[C@]([H])(OC(=O)/C([H])=C(\[H])c2ccc(O)c(O)c2)C1)=C(/[H])c1ccc(O)c(O)c1
InChIInChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(33(45)46,49-31(43)12-6-20-3-9-23(37)26(40)15-20)17-28(32(27)44)48-30(42)11-5-19-2-8-22(36)25(39)14-19/h1-15,27-28,32,35-40,44H,16-17H2,(H,45,46)/b10-4+,11-5+,12-6+/t27-,28-,32?,34?/m1/s1
InChIKeyMSKVJEAKVWAQTA-JFPZSYFPSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3,5-Tricaffeoylquinic acid (CHEBI:232586) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
(3R,5R)-1,3,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4-hydroxycyclohexane-1-carboxylic acidSUBMITTER
ACon1_000506SUBMITTER
MEGxp0_000867SUBMITTER
Registry NumbersSources
CAS:1073897-80-9SUBMITTER