input word = C00045061

Metabolite InformationStructural formula
Name Sch 642305
(+)-Sch 642305
Formula C14H20O4
Mw 252.13615913
CAS RN 643747-04-0
C_ID C00045061 ,
InChIKey WTQWDNIIFGEBSZ-DYONISPENA-N
InChICode InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9-,10+,11+,13+/m0/s1
SMILES C[C@H]1CCCC[C@H]2C(=O)C=C[C@H](O)[C@@H]2CC(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium verrucosum Ref.
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