input word = C00042007

Metabolite InformationStructural formula
Name (3E,7E,11E)-18-Hydroxy-3,7,11,15(17)-cembratetraen-16,14-olide
Formula C20H28O3
Mw 316.20384476
CAS RN 852469-29-5
C_ID C00042007 ,
InChIKey KXVIJXIRUBWYDB-CYQIEKHBNA-N
InChICode InChI=1S/C20H28O3/c1-14-6-4-8-15(2)12-19-18(16(3)20(22)23-19)11-10-17(13-21)9-5-7-14/h7-8,10,18-19,21H,3-6,9,11-13H2,1-2H3/b14-7-,15-8+,17-10-/t18-,19+/m1/s1
SMILES C\1(=C\CC/C(=C/C[C@H]2[C@H](C/C(=C/CC1)/C)OC(=O)C2=C)/CO)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia gibberosa Ref.
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OrganismSinularia gibberosa
ReferenceLi,J.Nat.Prod.,68,(2005),649