input word = C00049632

Metabolite InformationStructural formula
Name Decumbesterone A
Formula C29H46O7
Mw 506.32435382
CAS RN 234772-53-3
C_ID C00049632 ,
InChIKey VEIMPAGTQSNXNE-FGBAEBSHNA-N
InChICode InChI=1S/C29H46O7/c1-15(2)17(16(3)30)11-25(34)28(6,35)24-8-10-29(36)19-12-21(31)20-13-22(32)23(33)14-26(20,4)18(19)7-9-27(24,29)5/h12,16-18,20,22-25,30,32-36H,1,7-11,13-14H2,2-6H3/t16-,17+,18+,20+,22-,23+,24+,25-,26-,27-,28-,29-/m1/s1
SMILES C=C(C)C(C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga decumbens Ref.
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