input word = C00031341

Metabolite InformationStructural formula
Name Secopenicillide A
(-)-Secopenicillide A
Formula C24H30O8
Mw 446.19406794
CAS RN 924895-67-0
C_ID C00031341 ,
InChIKey HACSXWTUHXJLAA-GWCZJFQONA-N
InChICode InChI=1S/C24H30O8/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/h8-11,14,21,25,27H,7,12H2,1-6H3/t14-,21+/m1/s1
SMILES c1c(c(c(c(c1)Oc1c(cc(cc1O)C)CO)C(=O)OC)OC)[C@H]([C@H](C)CC)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium simplicissimum IFM53375 Ref.
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