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 O=C1C(c2ccc(O)c(O)c2)=c2c(c3c(n2CCc2ccc(O)cc2)=C(c2ccc(O)c(O)c2)C(=O)c2cc(O)c(O)cc2-3)-c2cc(O)c(O)cc21
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
--Iotrochota sp. Ref.
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OrganismIotrochota sp.
ReferenceNakao,J.Nat.Prod.,70,(2007),689