input word = C00035384

Metabolite InformationStructural formula
Name Rosmaquinone A
(+)-Rosmaquinone A
Formula C21H26O5
Mw 358.17802394
CAS RN 864933-99-3
C_ID C00035384 ,
InChIKey CEYZNONDZLXUNG-CNJCHWMKNA-N
InChICode InChI=1S/C21H26O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18H,6-8H2,1-5H3/t16-,17-,18+,21+/m1/s1
SMILES C1(=O)C(=CC2=C(C1=O)[C@]13[C@@H]([C@@H]([C@@H]2OC)OC3=O)C(CCC1)(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRosmarinus officinalis L. Ref.
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