isoorientin

Chemical Formula:

C₂₁H₁₉O₁₁

Molecular Weight:

447.374 Daltons

Monoisotopic Mass:

448.1005614851 Daltons

SMILES:

C1(C=C(C(=CC=1C4(=CC(C2(=C(C=C(C(=C2O)C3(C(C(C(C(CO)O3)O)O)O))[O-])O4))=O))O)O)

InChI:

1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/p-1/t14-,17-,19+,20-,21+/m1/s1

InChIKey:

ODBRNZZJSYPIDI-VJXVFPJBSA-M

Synonyms

homoorientin
6C-hexosyl luteolin
luteolin 6-C-glucoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Databases

MetaCyc: ISOORIENTIN

PubChem (CID): 49852298

ChEBI: 58333

LIPID MAPS: LMPK12110469

KEGG: C01821

NCI: 133101

CAS: 4261-42-1

Seed: cpd01254

MetaNetX: MNXM4624