input word = C00050989

Metabolite InformationStructural formula
Name Isorhynchophyllic acid
Formula C21H26N2O4
Mw 370.18925733
CAS RN 144525-05-3
C_ID C00050989
InChIKey HPMMQWZOBMYITQ-WMMOLIKWNA-N
InChICode InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-21(16-6-4-5-7-17(16)22-20(21)26)18(23)10-14(13)15(12-27-2)19(24)25/h4-7,12-14,18H,3,8-11H2,1-2H3,(H,22,26)(H,24,25)/b15-12+/t13-,14-,18-,21-/m0/s1
SMILES CC[C@H]1CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2CC1/C(=COC)OC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeUncaria sinensis Ref.
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OrganismUncaria sinensis
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Heitzman, et al., Phytochemistry, 66, (2005), 5