input word = C00019894

Metabolite InformationStructural formula
Name (-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2'-deoxybruceol
Formula C24H28O6
Mw 412.18858863
CAS RN 160663-84-3
C_ID C00019894 ,
InChIKey ZPVBIQWUZYXRCN-YYIVIENJNA-N
InChICode InChI=1S/C24H28O6/c1-22(2,30-26)10-8-15-19-14-9-11-24(15,5)29-21-13-6-7-18(25)27-16(13)12-17(20(19)21)28-23(14,3)4/h6-8,10,12,14-15,19,26H,9,11H2,1-5H3/b10-8+/t14-,15-,19+,24?/m1/s1
SMILES CC(C)(/C=C/[C@@H]1C2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeEriostemon myoporoides Ref.
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OrganismEriostemon myoporoides
ReferenceSarker,Phytochem.,37,(1994),1287