input word = C00041091

Metabolite InformationStructural formula
Name Purpuracenin
(+)-Purpuracenin
Formula C37H66O8
Mw 638.47576908
CAS RN 227086-12-6
C_ID C00041091 ,
InChIKey QFFLFGFTHVFFDL-UDDNLCFGNA-N
InChICode InChI=1S/C37H66O8/c1-3-4-5-6-7-8-9-13-19-31(40)33-21-23-35(44-33)36-24-22-34(45-36)32(41)20-15-14-17-29(38)16-11-10-12-18-30(39)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-/m0/s1
SMILES C1[C@@H](O[C@@H](C1)[C@@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCC[C@H](CC1=C[C@@H](OC1=O)C)O)O)O)[C@H](CCCCCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona purpurea Ref.
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