input word = C00027633

Metabolite InformationStructural formula
Name (+)-N(6)-Acetoxyaphelandrine
(+)-N6-Acetoxyaphelandrine
N6-Acetoxyaphelandrine
Formula C30H38N4O6
Mw 550.27913498
CAS RN 259813-08-6
C_ID C00027633 ,
InChIKey XOZCWGXALVYMRD-KFBYBWNWNA-N
InChICode InChI=1S/C30H38N4O6/c1-20(35)40-34-16-3-2-14-33-15-4-13-32-27(37)19-25(31-12-5-17-34)22-8-11-26-24(18-22)28(30(33)38)29(39-26)21-6-9-23(36)10-7-21/h6-11,18,25,28-29,31,36H,2-5,12-17,19H2,1H3,(H,32,37)/t25-,28-,29+/m0/s1
SMILES CC(=O)ON1CCCCN2CCCNC(=O)C[C@H](NCCC1)c1ccc3c(c1)[C@H](C2=O)[C@@H](c1ccc(O)cc1)O3
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAphelandra fuscopunctata Ref.
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OrganismAphelandra fuscopunctata
ReferenceYouhnovski,Phytochem.,52,(1999),1717