input word = C00030081

Metabolite InformationStructural formula
Name Dactyloquinone B
Formula C22H28O4
Mw 356.19875938
CAS RN 385822-22-0
C_ID C00030081 ,
InChIKey VHEIQBFDIYFDPD-QYYQXZATNA-N
InChICode InChI=1S/C22H28O4/c1-13-7-6-9-22-20(13,3)10-8-14(2)21(22,4)12-15-18(24)17(25-5)11-16(23)19(15)26-22/h11,14H,1,6-10,12H2,2-5H3/t14-,20-,21+,22-/m0/s1
SMILES C1=C(C(=O)C2=C(C1=O)O[C@]13[C@](C2)([C@H](CC[C@]1(C(=C)CCC3)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dactylospongia elegans Ref.
--Hippospongia sp. Ref.
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OrganismHippospongia sp.
ReferenceOda,J.Nat.Med.,61,(2007),434