Met005304: Sudachiin A

Metabolite Information

Name

Sudachiin A

IUPAC Name

5,7-dihydroxy-6,8-dimethoxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one

Molecular Formula

C24H26O13

Molecular Weight

522.5

Exact Mass

522.1373409

SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC4C(C(C(C(O4)CO)O)O)O

InChIKey

ZSAJLBLZRADOLX-UHFFFAOYSA-N

InChI

InChI=1S/C24H26O13/c1-32-13-6-9(4-5-11(13)36-24-19(30)18(29)16(27)14(8-25)37-24)12-7-10(26)15-17(28)22(33-2)20(31)23(34-3)21(15)35-12/h4-7,14,16,18-19,24-25,27-31H,8H2,1-3H3