input word = C00053544

Metabolite InformationStructural formula
Name Neoisobractatin A
Formula C28H32O6
Mw 464.21988875
CAS RN 865245-58-5
C_ID C00053544
InChIKey SSBHLVYWWRGJOH-NVSCDHTKSA-N
InChICode InChI=1S/C28H32O6/c1-13(2)8-9-27-15-10-16-22(30)20-18(29)11-19-21(25(4,5)14(3)32-19)23(20)33-28(16,24(27)31)12-17(15)26(6,7)34-27/h8,10-11,14-15,17,29H,9,12H2,1-7H3/t14-,15-,17+,27+,28+/m0/s1
SMILES CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@]4(Oc5c(c(O)cc6c5C(C)(C)[C@H](C)O6)C(=O)C4=C[C@@H]31)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia bracteata Ref.
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OrganismGarcinia bracteata
ReferenceAnu Aravind, A. P. et al., Diversity of Garcinia species in the Western Ghats: Phytochemical Perspective (2017), 19-75, ISBN:978-81-924674-5-0