input word = C00047051

Metabolite InformationStructural formula
Name Ineleganene
Formula C20H32
Mw 272.25040102
CAS RN 274683-41-9
C_ID C00047051 ,
InChIKey DAGCNSBIYQRVRH-ZNVZENIWNA-N
InChICode InChI=1S/C20H32/c1-8-20(7)13-12-18(14-19(20)16(4)5)17(6)11-9-10-15(2)3/h8,11,18-19H,1-2,4,9-10,12-14H2,3,5-7H3/b17-11+/t18-,19+,20-/m0/s1
SMILES C=C[C@@]1(C)CC[C@H](/C(C)=C/CCC(=C)C)C[C@@H]1C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia inelegans Ref.
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