input word = C00048592

Metabolite InformationStructural formula
Name 7,8-Dehydrocyclospongiaquinone
Formula C22H28O4
Mw 356.19875938
CAS RN 69672-70-4
C_ID C00048592 ,
InChIKey LMDTYKJLQXMNMD-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O4/c1-20(2)8-6-9-21(3)16(20)7-10-22(4)17(21)11-13-18(24)15(25-5)12-14(23)19(13)26-22/h11-12,16H,6-10H2,1-5H3/t16-,21-,22-/m0/s1
SMILES C1[C@]2([C@H](C(CC1)(C)C)CC[C@]1(C2=CC2=C(O1)C(=O)C=C(C2=O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dactylospongia elegans Ref.
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