input word = C00031342

Metabolite InformationStructural formula
Name Secopenicillide B
(-)-Secopenicillide B
Formula C24H28O8
Mw 444.17841787
CAS RN 924895-68-1
C_ID C00031342 ,
InChIKey PEUHXOUMRRHXJY-GWCZJFQONA-N
InChICode InChI=1S/C24H28O8/c1-7-14(3)21(31-15(4)26)17-8-9-19(20(23(17)29-5)24(28)30-6)32-22-16(12-25)10-13(2)11-18(22)27/h8-12,14,21,27H,7H2,1-6H3/t14-,21+/m1/s1
SMILES CCC(C)[C@H](OC(C)=O)c1ccc(Oc2c(O)cc(C)cc2C=O)c(C(=O)OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium simplicissimum IFM53375 Ref.
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