input word = C00048384

Metabolite InformationStructural formula
Name Episinfernal
Formula C20H30O3
Mw 318.21949482
CAS RN 107602-89-1
C_ID C00048384 ,
InChIKey NHEOPEUDQXKFRV-QMJFVZNMNA-N
InChICode InChI=1S/C20H30O3/c1-18(12-22)6-3-7-19(2)15-5-4-13-9-20(15,10-14(13)11-21)17(23)8-16(18)19/h10-11,13,15-17,22-23H,3-9,12H2,1-2H3/t13?,15-,16+,17-,18+,19-,20-/m0/s1
SMILES C1[C@@H]2[C@@]3(C[C@@H](C1)C(=C3)C=O)[C@H](C[C@H]1[C@]2(CCC[C@@]1(CO)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis soluta Ref.
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