(-)-5'-demethylyatein

Chemical Formula:

C₂₁H₂₂O₇

Molecular Weight:

386.401 Daltons

Monoisotopic Mass:

386.1365530609 Daltons

SMILES:

COC4(C(=C(O)C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)OC)

InChI:

1S/C21H22O7/c1-24-19-9-13(7-16(22)20(19)25-2)6-15-14(10-26-21(15)23)5-12-3-4-17-18(8-12)28-11-27-17/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1

InChIKey:

PFCOJAPJHVVASV-LSDHHAIUSA-N

Synonyms

(3R,4R)-4-(2H-1,3-benzodioxol-5-ylmethyl)-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one

Databases

MetaCyc: CPD-18755

ChEBI: 90894

KEGG: C21184

PubChem (CID): 14703253

MetaNetX: MNXM162440