input word = C00059494

Metabolite InformationStructural formula
Name 1,5-Dihydroxy-3,8-epopxyvalechlorine
Formula C12H15ClO6
Mw 290.05571592
CAS RN 1251740-36-9
C_ID C00059494
InChIKey ZTKRNEHDDSFTES-ANNWIZPPSA-N
InChICode InChI=1S/C12H15ClO6/c1-5-10-18-9(15)8-11(5,16)3-7(17-6(2)14)12(8,4-13)19-10/h7-10,15-16H,1,3-4H2,2H3/t7-,8-,9+,10?,11-,12+/m0/s1
SMILES C=C1C2OC(O)C3C1(O)CC(OC(C)=O)C3(CCl)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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