input word = C00044388

Metabolite InformationStructural formula
Name Xylopiacin
Formula C37H68O7
Mw 624.49650453
CAS RN 155969-85-0
C_ID C00044388 ,
InChIKey AGGRKEWEGUFUDY-UHFFFAOYNA-N
InChICode InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-18-15-14-16-20-31(38)21-19-22-32(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+/m1/s1
SMILES CCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H](O1)[C@@H](O)CCCCCC[C@H](O)CCC[C@H](O)CC1=C[C@H](OC1=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia aromatica Ref.
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OrganismXylopia aromatica
ReferenceZafra-Polo,Phytochem.,48,(1998),1087