input word = C00042295

Metabolite InformationStructural formula
Name Boscialin
Formula C13H22O3
Mw 226.15689457
CAS RN 129277-03-8
C_ID C00042295 ,
InChIKey CWLKAPCFJXJCEO-REZRXTTGNA-N
InChICode InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9,11,15-16H,7-8H2,1-4H3/b6-5+/t9-,11+,13-/m1/s1
SMILES CC(=O)/C=C/[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaePhyllanthaceaePhyllanthus polyphyllus var.siamensis Ref.
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