input word = C00047966

Metabolite InformationStructural formula
Name Libertellenone C
(-)-Libertellenone C
Formula C20H28O5
Mw 348.193674
CAS RN 866413-30-1
C_ID C00047966 ,
InChIKey YFSWTQQLSUEQBY-NIJHXMDSNA-N
InChICode InChI=1S/C20H28O5/c1-5-17(2)8-9-20(25)12(10-17)14(23)15(24)16-18(3,11-21)7-6-13(22)19(16,20)4/h5,10,13,21-22,24-25H,1,6-9,11H2,2-4H3/t13-,17+,18+,19+,20-/m1/s1
SMILES C1[C@]2(C(=C[C@](C1)(C=C)C)C(=O)C(=C1[C@@]2([C@@H](CC[C@]1(CO)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDiatrypaceaeEutypella sp. BCC13199 Ref.
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