input word = C00042291

Metabolite InformationStructural formula
Name Blumiolide A
(+)-Blumiolide A
Formula C20H28O4
Mw 332.19875938
CAS RN 866403-76-1
C_ID C00042291 ,
InChIKey UDXXPMHZVKAWCF-QPGZDBKPNA-N
InChICode InChI=1S/C20H28O4/c1-14-7-10-20(4,13-21)11-8-16-15(6-5-9-19(2,3)23)12-24-18(22)17(14)16/h5-6,9,13,16-17,23H,1,7-8,10-12H2,2-4H3/b9-5+,15-6-/t16-,17+,20-/m1/s1
SMILES [C@@H]12[C@H](C(=C)CC[C@](CC1)(C=O)C)C(=O)OC/C/2=C/C=C/C(C)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePortulacaceae/XeniidaeXenia blumi Ref.
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OrganismXenia blumi
ReferenceEl-Gamal,J.Nat.Prod.,68,(2005),1336