input word = C00048614

Metabolite InformationStructural formula
Name Aspergillide A
Formula C14H22O4
Mw 254.15180919
CAS RN 1113061-38-3
C_ID C00048614 ,
InChIKey FDJDTDDUDZAAFP-KEEIOYGANA-N
InChICode InChI=1S/C14H22O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6,10-13,15H,2-3,5,7-9H2,1H3/b6-4+/t10-,11-,12-,13+/m0/s1
SMILES C1C[C@@H]([C@H]2CC(=O)O[C@H](CCC/C=C/[C@@H]1O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus ostianus Ref.
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