input word = C00039034

Metabolite InformationStructural formula
Name Dimethyl dicitrinin A
Formula C25H29O5
Mw 409.20149904
CAS RN 888948-76-3
C_ID C00039034 ,
InChIKey YXWJECYJDFSHTI-VSCNWDDUNA-N
InChICode InChI=1S/C25H29O5/c1-10-14(5)28-23-20-17(9-16(26-7)12(3)18(10)20)30-25-21(23)22(27-8)13(4)19-11(2)15(6)29-24(19)25/h9-11,14-15H,1-8H3/t10-,11+,14-,15-/m1/s1
SMILES C12=[O][C@@H]([C@H](c3c1c(Oc1c2c(c(c2c1O[C@@H]([C@@H]2C)C)C)OC)cc(c3C)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium citrinum B-57u Ref.
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