input word = C00044113

Metabolite InformationStructural formula
Name Bulladecin
(+)-Bulladecin
Formula C37H66O8
Mw 638.47576908
CAS RN 212515-56-5
C_ID C00044113 ,
InChIKey XPAKKKLOWFSUAV-XCKRLFCJNA-N
InChICode InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)32(40)20-21-33(41)34-23-24-36(45-34)35-22-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30-,31+,32-,33+,34+,35+,36+/m1/s1
SMILES CCCCCCCCCC[C@@H]([C@@H](CC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H]1CC[C@H](O1)CCCCCCC[C@H](O)CC1=C[C@H](OC1=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona atemoya Ref.
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OrganismAnnona atemoya
ReferenceDuret,Phytochem.,48,(1998),499