input word = C00040698

Metabolite InformationStructural formula
Name Xestoquinol sulfate
Formula C20H16O7S
Mw 400.0616736
CAS RN 143380-39-6
C_ID C00040698 ,
InChIKey QKHYRHPZLGLSHG-GNLPSFAGNA-N
InChICode InChI=1S/C20H16O7S/c1-20-6-2-3-10-9-26-19(17(10)20)18(22)13-7-11-12(8-14(13)20)16(5-4-15(11)21)27-28(23,24)25/h4-5,7-9,21H,2-3,6H2,1H3,(H,23,24,25)/t20-/m0/s1
SMILES c1cc(c2c(c1OS(=O)(=O)O)cc1c(c2)C(=O)c2c3[C@]1(CCCc3co2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPetrosiidaeXestospongia sapra Ref.
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OrganismXestospongia sapra
ReferenceNakao,J.Nat.Prod.,70,(2007),689