input word = C00022367

Metabolite InformationStructural formula
Name ent-2alpha-Hydroxy-13-epimanoyl oxide
Formula C20H34O2
Mw 306.25588033
CAS RN 99945-44-5
C_ID C00022367 ,
InChIKey YUPMLGNDHOQHCD-XFFJYNDINA-N
InChICode InChI=1S/C20H34O2/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h7,14-16,21H,1,8-13H2,2-6H3/t14-,15-,16+,18-,19-,20+/m0/s1
SMILES [C@@H]1(CC([C@H]2[C@](C1)([C@@H]1[C@@](CC2)(O[C@](CC1)(C=C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis perfoliata Ref.
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