input word = C00055713

Metabolite InformationStructural formula
Name Annonaretin A
Formula C33H56O3
Mw 500.42294565
CAS RN 1584741-08-1
C_ID C00055713
InChIKey DTLJCLJJBLHMHZ-DFZVDVNFSA-N
InChICode InChI=1S/C33H56O3/c1-20(2)23(21(3)4)10-9-22(18-34)24-13-14-31(8)27-12-11-26-29(5,6)28(36)25(35)17-33(26)19-32(27,33)16-15-30(24,31)7/h21-28,34-36H,1,9-19H2,2-8H3/t22-,23?,24+,25+,26-,27-,28-,30+,31-,32-,33+/m0/s1
SMILES C=C(C)C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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