input word = C00040701

Metabolite InformationStructural formula
Name Xestosaprol B
Formula C20H22O5
Mw 342.14672381
CAS RN 143380-66-9
C_ID C00040701 ,
InChIKey VWJHLPXIBLZUOE-UHFFFAOYNA-N
InChICode InChI=1S/C20H22O5/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/h6-7,12,14-16,21-23H,2-5,8H2,1H3/t12-,14+,15-,16+,20-/m0/s1
SMILES C1C[C@H](c2c([C@H]1O)cc1c(c2)C(=O)C2=C3[C@]1(CC[C@H]([C@@H]3CO2)O)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