input word = C00044389

Metabolite InformationStructural formula
Name Xylopien
Formula C37H66O7
Mw 622.48085446
CAS RN 161407-78-9
C_ID C00044389 ,
InChIKey MYIILGWLOBYDNH-OUKQBFOZNA-N
InChICode InChI=1S/C37H66O7/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/h12-13,27,29,31-36,38-41H,3-11,14-26,28H2,1-2H3/b13-12+/t29-,31+,32+,33+,34+,35-,36-/m0/s1
SMILES CCCCCCCCCC/C=C/CC[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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