input word = C00012911

Metabolite InformationStructural formula
Name Ivangustin
Formula C15H20O3
Mw 248.1412445
CAS RN 14164-59-1
C_ID C00012911 ,
InChIKey BGEGQRAHHFWWJT-DSJHFPPSNA-N
InChICode InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h10,12-13,16H,2,4-7H2,1,3H3/t10-,12-,13-,15-/m1/s1
SMILES C1(=C2[C@@]([C@@H](CC1)O)(C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus africanus Ref.
PlantaeAsteraceaeEriocephalus scariosus Ref.
PlantaeAsteraceaeInula japonica Ref.
PlantaeAsteraceaeIva angustifolia Ref.
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