input word = C00018583

Metabolite InformationStructural formula
Name Cepacin B
Formula C16H14O5
Mw 286.08412356
CAS RN 91682-94-9
C_ID C00018583 ,
InChIKey JMBCDSUOYMQCGL-UHFFFAOYNA-N
InChICode InChI=1S/C16H14O5/c1-2-3-4-5-6-7-11-14(20-11)16-15(21-16)13(18)10-8-9-12(17)19-10/h1,5,7,10-11,13-16,18H,8-9H2/t6-,10+,11-,13+,14+,15-,16-/m0/s1
SMILES C#CC#CC=C=CC1OC1C1OC1C(O)C1CCC(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas cepacia SC 11783 Ref.
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