input word = C00021157

Metabolite InformationStructural formula
Name Tetraneurin B
Formula C17H22O6
Mw 322.14163844
CAS RN 28587-45-3
C_ID C00021157 ,
InChIKey QRTSCMLACFOJIC-ASJIGOEYNA-N
InChICode InChI=1S/C17H22O6/c1-9-4-5-12-10(2)15(20)23-14(12)16(8-22-11(3)18)13(19)6-7-17(9,16)21/h9,12,14,21H,2,4-8H2,1,3H3/t9-,12-,14+,16-,17+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21COC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium alpinum Ref.
PlantaeAsteraceaeParthenium fruticosum Ref.
PlantaeAsteraceaeParthenium lozanianum Ref.
--family Asteraceae spp. Ref.
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OrganismParthenium alpinum
ReferenceYoshioka,Tetrahedron,26,(1970),2167