input word = C00001320

Metabolite InformationStructural formula
Name Purpureacin-1
Formula C37H66O8
Mw 638.47576908
CAS RN 150134-21-7
C_ID C00001320 ,
InChIKey HKMBLJVHVBJAIH-UHFFFAOYNA-N
InChICode InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)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 C1[C@H](O[C@@H](C1)[C@H](CC[C@H]([C@H]1CC[C@H](O1)[C@H](O)CCCCCCCCCC)O)O)CCCCCCC[C@H](CC1=C[C@H](OC1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona purpurea Ref.
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