input word = C00010841

Metabolite InformationStructural formula
Name Desacetylcalaminthone
Formula C9H10O4
Mw 182.05790881
CAS RN 131549-80-9
C_ID C00010841 ,
InChIKey IZIUQTMGHIWCOB-VNJVJOIJNA-N
InChICode InChI=1S/C9H10O4/c1-4-2-6-7(5(10)3-13-6)9(12)8(4)11/h3-4,8,10-11H,2H2,1H3/t4-,8-/m0/s1
SMILES C[C@H]1Cc2occ(O)c2C(=O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeCalamintha ashei Ref.
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OrganismCalamintha ashei
ReferenceMacias,Phytochem.,28,(1989),79