versiconal hemiacetal acetate

Chemical Formula:

C₂₀H₁₅O₉

Molecular Weight:

399.333 Daltons

Monoisotopic Mass:

400.07943211250006 Daltons

SMILES:

CC(=O)OCCC1(C2(C(OC(O)1)=CC3(=C(C(O)=2)C(=O)C4(=C(C(=O)3)C=C([O-])C=C(O)4))))

InChI:

1S/C20H16O9/c1-7(21)28-3-2-9-15-13(29-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3/p-1

InChIKey:

DYJNRRXQVSJBAA-UHFFFAOYSA-M

Synonyms

3-(2-(acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione
2-[(2S,3S)-2,4,6,8-tetrahydroxy-5,10-dioxo-5,10-dihydroanthra[2,3-b]furan-3-yl]ethyl acetate

Databases

MetaCyc: CPD-10170

MetaboLights: MTBLC71637

ChEBI: 71637

PubChem (CID): 25203253

Seed: cpd22590

MetaNetX: MNXM9229

KEGG: C20505