input word = C00035815

Metabolite InformationStructural formula
Name Calealactone A
Formula C23H30O8
Mw 434.19406794
CAS RN 499099-54-6
C_ID C00035815 ,
InChIKey WNDICIQYTOGEOM-NFFYVGPINA-N
InChICode InChI=1S/C23H30O8/c1-11(2)20(25)30-18-17-14(6)22(27)29-15(17)10-13(5)8-9-16(24)23(7,28)19(18)31-21(26)12(3)4/h8-9,12-13,15,17-19,28H,1,6,10H2,2-5,7H3/b9-8-/t13-,15+,17+,18-,19+,23-/m0/s1
SMILES C\1=C\[C@@H](C[C@@H]2[C@H]([C@@H]([C@H]([C@](C1=O)(O)C)OC(=O)C(C)C)OC(=O)C(=C)C)C(=C)C(=O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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