input word = C00039326

Metabolite InformationStructural formula
Name Halenaquinol sulfate
Formula C20H14O8S
Mw 414.04093815
CAS RN 96623-01-7
C_ID C00039326 ,
InChIKey OIBVHMHPAKLZEG-GNLPSFAGNA-N
InChICode InChI=1S/C20H14O8S/c1-20-5-4-15(22)12-8-27-19(17(12)20)18(23)11-6-9-10(7-13(11)20)16(3-2-14(9)21)28-29(24,25)26/h2-3,6-8,21H,4-5H2,1H3,(H,24,25,26)/t20-/m0/s1
SMILES c12c(C(=O)c3c4[C@]1(CCC(=O)c4co3)C)cc1c(c2)c(ccc1O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia cf. carbonaria Ref.
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OrganismXestospongia cf. carbonaria
ReferenceNakao,J.Nat.Prod.,70,(2007),689