input word = C00045412

Metabolite InformationStructural formula
Name Tajixanthone hydrate
Formula C25H28O7
Mw 440.18350325
CAS RN 54622-51-4
C_ID C00045412 ,
InChIKey SLCCOTGLZNLRJS-GUCARIEGNA-N
InChICode InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1
SMILES c1cc(c2c(c1O)c(=O)c1c(o2)cc(c2c1[C@@H]([C@H](CO2)C(=C)C)O)C)C[C@@H](C(C)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Emericella rugulosa Ref.
--Emericella variecolor Ref.
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OrganismEmericella rugulosa
ReferenceMoosophon,J.Nat.Prod.,72,(2009),1442