input word = C00048559

Metabolite InformationStructural formula
Name Trachinodiol 7beta-monoacetate
Formula C22H34O3
Mw 346.25079495
CAS RN 50439-50-4
C_ID C00048559 ,
InChIKey TVYLISALUXYSMF-POGADZCLNA-N
InChICode InChI=1S/C22H34O3/c1-13(24)25-18-9-16-19(2,12-23)6-5-7-20(16,3)17-8-14-15-10-22(17,18)11-21(14,15)4/h14-18,23H,5-12H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22-/m1/s1
SMILES C1[C@@H]2[C@@]3(C[C@@]4([C@H]1[C@@H]4C3)C)[C@H](C[C@H]1[C@]2(CCC[C@@]1(CO)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis argosphacelus var. spicata Ref.
PlantaeLabiataeSideritis discolor Ref.
PlantaeLabiataeSideritis kuegleriana Ref.
PlantaeLabiataeSideritis lotsyi var. mascaensis Ref.
PlantaeLabiataeSideritis soluta Ref.
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