22-[(1R,3S)-5,9,10-trihydroxy-1-methyl-1H,3H,4H-naphtho[2,3-c]pyran-3-yl]acetate

Chemical Formula:

C₁₆H₁₅O₆

Molecular Weight:

303.291 Daltons

Monoisotopic Mass:

304.0946882462 Daltons

SMILES:

CC1(C3(C(C[CH](CC([O-])=O)O1)=C(C2(=C(C(=CC=C2)O)C(O)=3))O))

InChI:

1S/C16H16O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17,20-21H,5-6H2,1H3,(H,18,19)/p-1/t7-,8+/m1/s1

InChIKey:

GBBQTBKHHWHZSJ-SFYZADRCSA-M

Databases

MetaCyc: CPD-19413

PubChem (CID): 122706266

Seed: cpd19625

ChEBI: 81706

MetaNetX: MNXM722966

KEGG: C18360