baicalin

Chemical Formula:

C₂₁H₁₇O₁₁

Molecular Weight:

445.359 Daltons

Monoisotopic Mass:

446.08491142089997 Daltons

SMILES:

C(=O)([O-])C1(OC(C(O)C(O)C(O)1)OC4(C(O)=C(O)C3(C(=O)C=C(C2(C=CC=CC=2))OC=3C=4)))

InChI:

1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/p-1/t16-,17-,18+,19-,21+/m0/s1

InChIKey:

IKIIZLYTISPENI-ZFORQUDYSA-M

Synonyms

baicalein 7-O-glucuronide
7-D-glucuronic acid-5,6-dihydroxyflavone
5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
5,6,7-trihydroxyflavone-7-O-β-D-glucuronate

Databases

MetaCyc: CPD-12725

RefMet: Baicalin

ChEBI: 61283

PubChem (CID): 40469168 64982

Seed: cpd06915

HMDB: HMDB41832

MetaNetX: MNXM2502

KEGG: C10025