input word = C00044238

Metabolite InformationStructural formula
Name Montanacin
Formula C37H68O8
Mw 640.49141915
CAS RN 128741-23-1
C_ID C00044238 ,
InChIKey IXSHKIWENQCBDU-UHFFFAOYNA-N
InChICode InChI=1S/C37H68O8/c1-3-4-5-6-7-8-9-12-22-33(41)35-24-25-36(45-35)34(42)23-13-10-11-17-30(38)18-14-15-19-31(39)20-16-21-32(40)27-29-26-28(2)44-37(29)43/h26,28,30-36,38-42H,3-25,27H2,1-2H3/t28-,30-,31+,32+,33+,34-,35+,36+/m1/s1
SMILES CCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@H](O)CCCCC[C@@H](O)CCCC[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
PlantaeAnnonaceaeAnnona montana Ref.
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