input word = C00040699

Metabolite InformationStructural formula
Name Xestoquinone
Formula C20H14O4
Mw 318.08920894
CAS RN 97743-96-9
C_ID C00040699 ,
InChIKey HDONDRKCXFRHQQ-GNLPSFAGNA-N
InChICode InChI=1S/C20H14O4/c1-20-6-2-3-10-9-24-19(17(10)20)18(23)13-7-11-12(8-14(13)20)16(22)5-4-15(11)21/h4-5,7-9H,2-3,6H2,1H3/t20-/m0/s1
SMILES C[C@@]12CCCc3coc(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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