input word = C00048094

Metabolite InformationStructural formula
Name Rugulosone
(-)-Rugulosone
Formula C26H34O2
Mw 378.25588033
CAS RN 1174549-73-5
C_ID C00048094 ,
InChIKey FMKMRACZTYQJQI-ZUJZBTJANA-N
InChICode InChI=1S/C26H34O2/c1-8-22(28)19(5)24-25(6)13-16(2)14-26(24,7)23(18(4)15-25)17(3)11-20-9-10-21(27)12-20/h9-11,14-15,20,23-24H,5,8,12-13H2,1-4,6-7H3/b17-11-/t20-,23-,24+,25-,26?/m0/s1
SMILES C=C(C(=O)CC)C1[C@@]2(C)C=C(C)[C@H](/C(C)=C[C@@H]3C=CC(=O)C3)[C@]1(C)C=C(C)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Emericella rugulosa Ref.
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