input word = C00062571

Metabolite InformationStructural formula
Name (3beta)-3-Hydroxyurs-12-en-28-amide
Formula C30H49NO2
Mw 455.37632982
CAS RN 642076-40-2
C_ID C00062571
InChIKey BMSAJSJGGFAPBJ-GPOJBZKASA-N
InChICode InChI=1S/C30H49NO2/c1-18-10-15-30(25(31)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(32)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,32H,9-17H2,1-7H3,(H2,31,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
SMILES CC1CCC2(C(N)=O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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OrganismPunica granatum
Referencehttps://doi.org/10.1007/s00044-012-0397-z