input word = C00041278

Metabolite InformationStructural formula
Name 5-(1,2-Diacetoxyethyl)-2-(E)-hept-5-ene-1,3-diynylthiophene
Formula C17H16O4S
Mw 316.07692973
CAS RN 14744-70-8
C_ID C00041278 ,
InChIKey SZRQIJOTIIDHCG-SNAWJCMRNA-N
InChICode InChI=1S/C17H16O4S/c1-4-5-6-7-8-9-15-10-11-17(22-15)16(21-14(3)19)12-20-13(2)18/h4-5,10-11,16H,12H2,1-3H3/b5-4+/t16-/m1/s1
SMILES c1(ccc(s1)[C@H](OC(=O)C)COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeXanthopappus subacaulis Ref.
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OrganismXanthopappus subacaulis
ReferenceTian,J.Nat.Prod.,69,(2006),1241