input word = C00031719

Metabolite InformationStructural formula
Name Danshenspiroketallactone
Formula C18H22O3
Mw 286.15689457
CAS RN 149817-96-9
C_ID C00031719 ,
InChIKey HUTQFIYQAWCICW-UHFFFAOYNA-N
InChICode InChI=1S/C18H22O3/c1-11-9-18(20-10-11)14-7-6-13-12(15(14)16(19)21-18)5-4-8-17(13,2)3/h6-7,11H,4-5,8-10H2,1-3H3/t11-,18+/m1/s1
SMILES C1CC(c2c(C1)c1c(cc2)[C@]2(OC1=O)OC[C@@H](C2)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia glutinosa Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
PlantaeLabiataeSalvia multiorrhiza Ref.
PlantaeLabiataeSalvia przewalskii Ref.
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OrganismSalvia multiorrhiza
ReferenceKakisawa,J.Chem.Soc.,Perkin 1,(1976),1716