input word = C00021132

Metabolite InformationStructural formula
Name Deacetylisotenulin
Formula C15H20O4
Mw 264.13615913
CAS RN 13743-85-6
C_ID C00021132 ,
InChIKey ICKWITMQEROMDG-KXDWMMDFNA-N
InChICode InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3/t7-,8-,9+,10+,12+,13-,15+/m1/s1
SMILES [C@@H]12[C@]([C@@H]([C@@H]3[C@H](C[C@H]1C)OC(=O)[C@@H]3C)O)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium bigelovii Ref.
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