input word = C00055945

Metabolite InformationStructural formula
Name Isoforbesionic acid
Formula C28H30O8
Mw 494.19406794
CAS RN 1354539-04-0
C_ID C00055945
InChIKey POBKAWSSZZYYDY-YAHQMWPKSA-N
InChICode InChI=1S/C28H30O8/c1-13(2)6-7-16-18(29)12-19(30)21-22(31)17-10-15-11-20-26(4,5)36-27(24(15)32,9-8-14(3)25(33)34)28(17,20)35-23(16)21/h6,8,10,12,15,20,29-30H,7,9,11H2,1-5H3,(H,33,34)/b14-8+/t15-,20+,27+,28-/m1/s1
SMILES CC(C)=CCc1c(O)cc(O)c2c1O[C@]13C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]3(C/C=C(C)C(=O)O)C4=O)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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