input word = C00020778

Metabolite InformationStructural formula
Name Aurantiamide acetate
Aurantiamideacetate
Formula C27H28N2O4
Mw 444.2049074
CAS RN 56121-42-7
C_ID C00020778 ,
InChIKey VZPAURMDJZOGHU-UHFFFAOYNA-N
InChICode InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25+/m0/s1
SMILES c1cccc(c1)C(=O)N[C@@H](C(=O)N[C@H](COC(=O)C)Cc1ccccc1)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina conyzoides Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
PlantaeEuphorbiaceaeCroton hieronymi Ref.
PlantaeFabaceaeMillettia pinnata Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaePolygonaceaePolygonum chinensis L. Ref.
PlantaeRosaceaeSpiraea formosana Ref.
PlantaeSimaroubaceaePierreodendron kerstingii Little. Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
--Acanthophora spicifera Ref.
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OrganismMillettia pinnata
Referencehttps://doi.org/10.1016/0031-9422(80)83083-4