input word = C00042640

Metabolite InformationStructural formula
Name Isosalvixalapadiene
Formula C20H16O5
Mw 336.09977362
CAS RN 855297-51-7
C_ID C00042640 ,
InChIKey XBLYNGFLAFKITF-OIGVVNEQNA-N
InChICode InChI=1S/C20H16O5/c1-3-13-17(18(25-20(13)22)12-7-8-23-9-12)11(2)14-5-4-6-15-16(14)10-24-19(15)21/h3-9,18H,10H2,1-2H3/b13-3-,17-11+/t18-/m0/s1
SMILES c1ccc2c(c1/C(=C\1/[C@@H](OC(=O)/C1=C\C)c1cocc1)/C)COC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia xalapensis Ref.
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