input word = C00025281

Metabolite InformationStructural formula
Name Ancistine
Formula C25H29NO4
Mw 407.20965842
CAS RN 58938-33-3
C_ID C00025281 ,
InChIKey XJKBCFDZMXLQGI-UHFFFAOYNA-N
InChICode InChI=1S/C25H29NO4/c1-13-10-19(29-5)23-17(8-7-9-18(23)28-4)21(13)24-20(30-6)12-16-11-14(2)26-15(3)22(16)25(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15+/m1/s1
SMILES COc1cc2c(c(O)c1-c1c(C)cc(OC)c3c(OC)cccc13)C(C)NC(C)C2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Phe
Organism
Kingdom Family Species Reference
PlantaeAncistrocladaceaeAncistrocladus ealaensis Ref.
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