input word = C00046627

Metabolite InformationStructural formula
Name Asperic acid
(+)-Asperic acid
Formula C16H28O4
Mw 284.19875938
CAS RN 259096-85-0
C_ID C00046627 ,
InChIKey BVFQDPRIMUDOQZ-PQLMGKNBNA-N
InChICode InChI=1S/C16H28O4/c1-10(9-12(3)15(18)19)8-11(2)14-6-7-16(5,20-14)13(4)17/h8,10,12-14,17H,6-7,9H2,1-5H3,(H,18,19)/b11-8+/t10-,12-,13+,14-,16-/m0/s1
SMILES [C@@]1(CC[C@H](O1)/C(=C/[C@@H](C[C@@H](C(=O)O)C)C)/C)([C@@H](C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus niger Ref.
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OrganismAspergillus niger
ReferenceVaroglu,J.Nat.Prod.,63,(2000),41