input word = C00040880

Metabolite InformationStructural formula
Name Asitrilobin A
(-)-Asitrilobin A
Formula C37H68O7
Mw 624.49650453
CAS RN 227783-85-9
C_ID C00040880 ,
InChIKey ALYPJDVVTYTPDW-IELUQDPBNA-N
InChICode InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-13-12-15-20-31(38)21-16-14-17-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32+,33+,34+,35-,36+/m0/s1
SMILES [C@@H]1(CC[C@H](O1)[C@@H](CCCCCCCCCCCC)O)[C@@H](CCCCCC[C@H](CCCCC[C@H](CC1=C[C@@H](OC1=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona triloba Ref.
PlantaeAnnonaceaeAsimina triloba Ref.
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