input word = C00039128

Metabolite InformationStructural formula
Name epi-Danshenspiroketallactone
Formula C18H22O3
Mw 286.15689457
CAS RN 149817-97-0
C_ID C00039128 ,
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 c12c(ccc3c1C(=O)O[C@@]13OC[C@@H](C1)C)C(CCC2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia glutinosa Ref.
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OrganismSalvia glutinosa
ReferenceNagy,Phytochem.,52,(1999),1105