input word = C00054587

Metabolite InformationStructural formula
Name Asitrilobin C
Formula C37H68O7
Mw 624.49650453
CAS RN 262352-08-9
C_ID C00054587
InChIKey BCBLVYJIKUTOHM-UXXGTDFTSA-N
InChICode InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-14-17-20-23-33(40)35-24-25-36(44-35)34(41)28-32(39)22-19-16-13-11-10-12-15-18-21-31(38)27-30-26-29(2)43-37(30)42/h26,29,31-36,38-41H,3-25,27-28H2,1-2H3/t29-,31+,32-,33+,34+,35+,36+/m0/s1
SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)C[C@@H](O)CCCCCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAsimina triloba Ref.
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OrganismAsimina triloba
ReferenceHisham, A. et al., Tet. Lett., 1990, 31, 4649-4652 (Uvariamicin I)