input word = C00035742

Metabolite InformationStructural formula
Name Sideroxol
Formula C20H32O3
Mw 320.23514489
CAS RN 22338-60-9
C_ID C00035742 ,
InChIKey BDWKHKXSYDEDRO-CRNGCNMQNA-N
InChICode InChI=1S/C20H32O3/c1-17(11-21)7-4-8-18(2)13-6-5-12-10-20(13,15(22)9-14(17)18)16-19(12,3)23-16/h12-16,21-22H,4-11H2,1-3H3/t12-,13+,14-,15+,16+,17-,18+,19+,20-/m1/s1
SMILES C[C@]1(CO)CCC[C@]2(C)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@]1(C)O[C@@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis akmanii Ref.
PlantaeLabiataeSideritis arguta Ref.
PlantaeLabiataeSideritis ozturkii Aytac & Aksoy Ref.
PlantaeLabiataeSideritis rubriflora Ref.
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OrganismSideritis ozturkii Aytac & Aksoy
ReferenceSahin,Phytochem.,65,(2004),2095