input word = C00039033

Metabolite InformationStructural formula
Name Dihydroxyisoechinulin A
Formula C24H31N3O4
Mw 425.2314565
CAS RN 744253-48-3
C_ID C00039033 ,
InChIKey ICDCJXUIMDWCFI-XUIVRNCCNA-N
InChICode InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,12-13,19,26,28,31H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b18-12-/t13-,19+/m0/s1
SMILES C=CC(C)(C)c1[nH]c2ccc(C[C@@H](O)C(C)(C)O)cc2c1/C=C1NC(=O)[C@H](C)NC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus variecolor Ref.
zoom in