input word = C00049283

Metabolite InformationStructural formula
Name Purpurogenone
Formula C29H20O11
Mw 544.10056148
CAS RN 31077-93-7
C_ID C00049283 ,
InChIKey PKFZUNQTCZISSQ-UHFFFAOYNA-N
InChICode InChI=1S/C29H20O11/c1-7-3-9-13(10(30)4-7)24(36)20-25(37)18-15-16(19-12(32)6-28(20,26(9)38)29(19,40)27(18)39)23(35)17-14(22(15)34)11(31)5-8(2)21(17)33/h3-5,18-19,27,30-31,33,37,39-40H,6H2,1-2H3/t18-,19-,27-,28-,29+/m1/s1
SMILES Cc1cc(O)c2c(c1)C(=O)C13CC(=O)C4C5=C(C(=O)c6c(O)cc(C)c(O)c6C5=O)C(C(O)=C1C2=O)C(O)C43O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium purpurogenum Ref.
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