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 C/C1=CC[C@H](O)[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePentzia incana Ref.
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