input word = C00042416

Metabolite InformationStructural formula
Name Cordato-oblongic acid
(-)-Cordato-oblongic acid
Formula C20H24O6
Mw 360.1572885
CAS RN 58315-64-3
C_ID C00042416 ,
InChIKey MRVZBYVLLGHZED-RNEOENCQNA-N
InChICode InChI=1S/C20H24O6/c1-9(8-13(21)22)14-18-12(6-7-20(4,5)26-18)17(24)15-16(23)10(2)11(3)25-19(14)15/h6-7,9-11,24H,8H2,1-5H3,(H,21,22)/t9-,10-,11+/m1/s1
SMILES c12c(c(c3c(c1[C@H](C)CC(=O)O)OC(C=C3)(C)C)O)C(=O)[C@@H]([C@@H](O2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum cordato-oblongum Ref.
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OrganismCalophyllum cordato-oblongum
ReferenceDharmaratne,Phytochem.,49,(1998),995