input word = C00031643

Metabolite InformationStructural formula
Name Caesaldekarin A
(+)-Caesaldekarin A
Formula C22H32O4
Mw 360.23005951
CAS RN 163658-52-4
C_ID C00031643 ,
InChIKey ALHFWFVPZTXDOE-UHFFFAOYNA-N
InChICode InChI=1S/C22H32O4/c1-13-15-7-10-25-18(15)12-17-16(13)11-19(26-14(2)23)22(24)20(3,4)8-6-9-21(17,22)5/h7,10,13,16-17,19,24H,6,8-9,11-12H2,1-5H3/t13-,16-,17-,19-,21+,22+/m1/s1
SMILES c12c([C@H]([C@@H]3[C@@H](C1)[C@]1([C@]([C@@H](C3)OC(=O)C)(C(CCC1)(C)C)O)C)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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OrganismCaesalpinia bonduc
ReferenceLyder,J.Nat.Prod.,61,(1998),1462