input word = C00012112

Metabolite InformationStructural formula
Name 3beta-Hydroxy-11alpha,13-dihydroparthenolide
Formula C15H22O4
Mw 266.15180919
CAS RN 126829-69-4
C_ID C00012112 ,
InChIKey NVMYBXMBRSFQGR-QCTNSXEDNA-N
InChICode InChI=1S/C15H22O4/c1-8-4-6-10-9(2)14(17)18-12(10)13-15(3,19-13)11(16)7-5-8/h5,9-13,16H,4,6-7H2,1-3H3/b8-5+/t9-,10+,11+,12+,13-,15-/m1/s1
SMILES C1[C@@H]([C@@]2([C@@H]([C@@H]3[C@@H](CC/C(=C/1)/C)[C@H](C(=O)O3)C)O2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePentzia incana Ref.
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OrganismPentzia incana
ReferenceZdero,Phytochem.,29,(1990),189