input word = C00029038

Metabolite InformationStructural formula
Name Spinanine A
Formula C24H32N4O4
Mw 440.24235554
CAS RN 135091-07-5
C_ID C00029038 ,
InChIKey BVQSOVULWZVQAQ-BENRWUELNA-N
InChICode InChI=1S/C24H32N4O4/c1-3-15(2)20(25)23(30)28-14-11-19-21(28)24(31)27-13-4-5-18(27)22(29)26-12-10-16-6-8-17(32-19)9-7-16/h6-10,12,15,18-21H,3-5,11,13-14,25H2,1-2H3,(H,26,29)/b12-10-/t15-,18+,19-,20-,21+/m1/s1
SMILES c1c2ccc(c1)O[C@H]1[C@@H](C(=O)N3[C@H](C(=O)N/C=C\2)CCC3)N(CC1)C(=O)[C@@H]([C@@H](CC)C)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeZizyphus spina-christi Ref.
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OrganismZizyphus spina-christi
ReferenceAbdel,Phytochem.,30,(1991),1348