input word = C00050031

Metabolite InformationStructural formula
Name Candidalactone
(+)-Candidalactone
Formula C20H28O4
Mw 332.19875938
CAS RN 188987-88-4
C_ID C00050031 ,
InChIKey NTAKAWMWMVZWTA-YNHRJVTQNA-N
InChICode InChI=1S/C20H28O4/c1-6-19(4)10-13(16(21)22)20(5)12-8-7-9-18(2,3)15(12)17(23)24-14(20)11-19/h6,13-14H,1,7-11H2,2-5H3,(H,21,22)/t13-,14-,19+,20-/m0/s1
SMILES C(=C)[C@]1(C[C@H]2[C@]([C@@H](C1)C(=O)O)(C1=C(C(=O)O2)C(CCC1)(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVelloziaceaeVellozia candida Ref.
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OrganismVellozia candida
ReferenceValente,J.Nat.Prod.,60,(1997),478