input word = C00034724

Metabolite InformationStructural formula
Name Theobroxide
(-)-Theobroxide
Formula C7H10O3
Mw 142.06299419
CAS RN 142449-87-4
C_ID C00034724 ,
InChIKey OICXPDKRWDNGQZ-VTPUDEAPNA-N
InChICode InChI=1S/C7H10O3/c1-3-2-4(8)6-7(10-6)5(3)9/h2,4-9H,1H3/t4-,5+,6+,7-/m0/s1
SMILES [C@H]12[C@H]([C@@H](C(=C[C@@H]1O)C)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaeLasiodiplodia theobromae Ref.
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