input word = C00031191

Metabolite InformationStructural formula
Name Rosmanol
Formula C20H26O5
Mw 346.17802394
CAS RN 80225-53-2
C_ID C00031191 ,
InChIKey ZPGPREPDSQALNB-UMRXYRMENA-N
InChICode InChI=1S/C21H28O4/c1-10(2)11-8-12-15(18(25)17(11)24)21-7-5-6-20(3,4)19(21)13(16(12)23)9-14(21)22/h8,10,13,16,19,23-25H,5-7,9H2,1-4H3/t13-,16+,19+,21+/m1/s1
SMILES CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](CC3=O)[C@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePerovskia scrophularifolia Ref.
PlantaeLabiataeRosmarinus officinalis L. Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLabiataeSalvia pachyphylla Ref.
--Hypis dilatata Ref.
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