Ketcher 11162211252D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:194115

> <NAME>
deoxyerythrostominone

> <DEFINITION>
A natural pigment produced by fungi, major tautomer defined by heteronuclear multiple bond correlation (HMBC).

> <STAR>
2

> <SYNONYM>
deoxyerythrostominone

> <FORMULA>
C17H16O7

> <MASS>
332.308

> <MONOISOTOPIC_MASS>
332.08960

> <CHARGE>
0

> <SMILES>
C=12C(C3=C(C(C1C(=C(C=C2O)OC)O)=O)O[C@H](CC3)CC(C)=O)=O

> <INCHI>
InChI=1S/C17H16O7/c1-7(18)5-8-3-4-9-14(20)12-10(19)6-11(23-2)15(21)13(12)16(22)17(9)24-8/h6,8,19,21H,3-5H2,1-2H3/t8-/m1/s1

> <INCHIKEY>
XMKYJFYLCGTMAT-MRVPVSSYSA-N

> <PUBMED_CITATION>
26193948

$$$$