input word = C00000557

Metabolite InformationStructural formula
Name Ascoquinone A
Formula C30H18O15
Mw 618.06456991
CAS RN 156430-23-8
C_ID C00000557 ,
InChIKey ZAOGJEBDIPWARJ-UHFFFAOYSA-N
InChICode InChI=1S/C30H18O15/c31-11-3-13(33)25(39)19-17(11)27(41)15-9(23(19)37)1-7(21(35)29(15)43)5-45-6-8-2-10-16(30(44)22(8)36)28(42)18-12(32)4-14(34)26(40)20(18)24(10)38/h1-4,31-36,39-40,43-44H,5-6H2
SMILES O=C1c2c(cc(COCc3cc4c(c(O)c3O)C(=O)c3c(O)cc(O)c(O)c3C4=O)c(O)c2O)C(=O)c2c(O)c(O)cc(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus nidulans Ref.
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