input word = C00039325

Metabolite InformationStructural formula
Name Halenaquinol
Formula C20H14O5
Mw 334.08412356
CAS RN 96603-02-0
C_ID C00039325 ,
InChIKey WXLYRCGVTYXHMS-GNLPSFAGNA-N
InChICode InChI=1S/C20H14O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h2-3,6-8,21-22H,4-5H2,1H3/t20-/m0/s1
SMILES c12c(C(=O)c3c4[C@]1(CCC(=O)c4co3)C)cc1c(c2)c(ccc1O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia cf. carbonaria Ref.
--Petrosia seriata Ref.
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OrganismPetrosia seriata
ReferenceNakao,J.Nat.Prod.,70,(2007),689