input word = C00015899

Metabolite InformationStructural formula
Name 2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Formula C18H18O3
Mw 282.12559444
CAS RN 152269-94-8
C_ID C00015899 ,
InChIKey HTWJYYPUFBTBAW-UHFFFAOYSA-N
InChICode InChI=1S/C18H18O3/c1-4-13-10(2)16(20)9-12-5-6-14-11(3)15(19)7-8-17(14)21-18(12)13/h4,7-9,19-20H,1,5-6H2,2-3H3
SMILES c12c(CCc3c(O1)c(c(c(c3)O)C)C=C)c(c(cc2)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuncaceaeJuncus effusus Ref.
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OrganismJuncus effusus
ReferenceDella,Phytochem.,34,(1991),1182