input word = C00040120

Metabolite InformationStructural formula
Name Purpurone
Formula C40H27NO11
Mw 697.15841071
CAS RN 147362-37-6
C_ID C00040120 ,
InChIKey USHRRYVVGLGHAL-UHFFFAOYSA-N
InChICode InChI=1S/C40H27NO11/c42-20-5-1-17(2-6-20)9-10-41-37-33(18-3-7-25(43)27(45)11-18)39(51)23-15-31(49)29(47)13-21(23)35(37)36-22-14-30(48)32(50)16-24(22)40(52)34(38(36)41)19-4-8-26(44)28(46)12-19/h1-8,11-16,42-50H,9-10H2
SMILES c12c(=C(C(=O)c3c2cc(c(c3)O)O)c2cc(c(cc2)O)O)n(c2=C(C(=O)c3c(c12)cc(c(c3)O)O)c1ccc(c(c1)O)O)CCc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
--Iotrochota sp. Ref.
zoom in