input word = C00053542

Metabolite InformationStructural formula
Name Neobractatin
Formula C28H32O6
Mw 464.21988875
CAS RN 1236034-63-1
C_ID C00053542
InChIKey WNZOVBCBFYFAQY-SRINRWLMSA-N
InChICode InChI=1S/C28H32O6/c1-8-25(4,5)21-19(30)12-18(29)20-22(31)16-11-15-17-13-28(16,33-23(20)21)24(32)27(15,10-9-14(2)3)34-26(17,6)7/h8-9,11-12,15,17,29-30H,1,10,13H2,2-7H3/t15-,17+,27+,28+/m1/s1
SMILES C=CC(C)(C)c1c(O)cc(O)c2c1O[C@@]13C[C@H]4[C@@H](C=C1C2=O)[C@](CC=C(C)C)(OC4(C)C)C3=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