input word = C00027184

Metabolite InformationStructural formula
Name Ancistrogriffithine A
Formula C48H52N2O8
Mw 784.37236665
CAS RN 346702-11-2
C_ID C00027184 ,
InChIKey IZIZZGYVVSOSHV-UHFFFAOYNA-N
InChICode InChI=1S/C48H52N2O8/c1-21-13-31-32(41-34(51)18-27-16-23(3)49-25(5)39(27)47(41)57-9)20-33(46(54)43(31)36(14-21)55-7)29-11-12-30-38(22(2)15-37(56-8)42(30)45(29)53)44-35(52)19-28-17-24(4)50-26(6)40(28)48(44)58-10/h11-15,18-20,23-26,49-54H,16-17H2,1-10H3/t23-,24+,25-,26+/m1/s1
SMILES COc1c(-c2cc(-c3ccc4c(-c5c(O)cc6c(c5OC)C(C)NC(C)C6)c(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c(O)cc2c1C(C)NC(C)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeAncistrocladaceaeAncistrocladus qriffithii Ref.
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