input word = C00002454

Metabolite InformationStructural formula
Name Calanolide A
Formula C22H26O5
Mw 370.17802394
CAS RN 142632-32-4
C_ID C00002454 ,
InChIKey NIDRYBLTWYFCFV-XQRMETEUNA-N
InChICode InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
SMILES c12c3c(c4c(c1OC(C=C2)(C)C)c(cc(=O)o4)CCC)[C@H]([C@@H]([C@H](O3)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum brasiliense Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum lanigerum var. austrocoriaceum Ref.
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OrganismCalophyllum brasiliense
ReferenceIto,J.Nat.Prod.,66,(2003),368