input word = C00044953

Metabolite InformationStructural formula
Name Neodactyloquinone
(+)-Neodactyloquinone
Formula C22H28O4
Mw 356.19875938
CAS RN 487016-14-8
C_ID C00044953 ,
InChIKey FDSDIYQHKYXSBM-MLYUBBHANA-N
InChICode InChI=1S/C22H28O4/c1-13-7-6-8-17-21(13,3)10-9-20(2)12-14-18(24)16(25-5)11-15(23)19(14)26-22(17,20)4/h11,17H,1,6-10,12H2,2-5H3/t17-,20+,21-,22+/m1/s1
SMILES C1=C(C(=O)C2=C(C1=O)O[C@@]1([C@](C2)(CC[C@]2([C@H]1CCCC2=C)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dactylospongia elegans Ref.
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OrganismDactylospongia elegans
ReferenceMitome,J.Nat.Prod.,66,(2003),46