input word = C00055113

Metabolite InformationStructural formula
Name Yucalexin B5
Formula C20H26O3
Mw 314.1881947
CAS RN 50719-31-8
C_ID C00055113
InChIKey QPTSUMMYEGOBLJ-ALUGONPKSA-N
InChICode InChI=1S/C20H26O3/c1-17(2)13-5-6-20-8-7-18(3,11-20)15(22)9-14(20)19(13,4)10-12(21)16(17)23/h7-8,10,13-14,21H,5-6,9,11H2,1-4H3/t13-,14+,18-,19-,20+/m1/s1
SMILES O=C1C(O)=C[C@]2(C)[C@@](CC[C@]3(C[C@]4(C=C3)C)[C@@]2([H])CC4=O)([H])C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeManihot esculent Ref.
PlantaeEuphorbiaceaeManihot esculenta Ref.
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OrganismManihot esculent
ReferencePiacenza, L.P.L. et al., JCS Perkin 1, 1979, 1004-1012 (Androstachys johnsonii constit)