input word = C00039327

Metabolite InformationStructural formula
Name Halenaquinone
Formula C20H121O5
Mw 441.92140197
CAS RN 86690-14-4
C_ID C00039327 ,
InChIKey SMGBXXZKAPMTBB-GNLPSFAGNA-N
InChICode InChI=1S/C20H12O5/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/h2-3,6-8H,4-5H2,1H3/t20-/m0/s1
SMILES C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia cf. carbonaria Ref.
AnimaliaPetrosiidaeXestospongia sapra Ref.
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