input word = C00039013

Metabolite InformationStructural formula
Name Dicitrinin B
Formula C22H22O6
Mw 382.14163844
CAS RN 888948-77-4
C_ID C00039013 ,
InChIKey DEZZBYAETRDOKW-QVEJRMLYNA-N
InChICode InChI=1S/C22H22O6/c1-7-10(4)27-21-14(7)9(3)18(24)17-20-16-13(28-22(17)21)6-12(23)19(25)15(16)8(2)11(5)26-20/h6-8,10-11,24-25H,1-5H3/t7-,8-,10+,11+/m1/s1
SMILES c12c3c(oc4c1c(c(c1c4O[C@H]([C@H]1C)C)C)O)cc(=O)c(c3[C@@H]([C@@H](O2)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium citrinum B-57u Ref.
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OrganismPenicillium citrinum B-57u
ReferenceLu,J.Nat.Prod.,71,(2008),543