input word = C00045404

Metabolite InformationStructural formula
Name Semimyrtucommulone
Formula C25H34O7
Mw 446.23045344
CAS RN 413597-02-1
C_ID C00045404 ,
InChIKey LQOPKPCZNCPZQE-UHFFFAOYNA-N
InChICode InChI=1S/C25H34O7/c1-10(2)13(15-21(30)24(6,7)23(32)25(8,9)22(15)31)14-18(27)12(5)19(28)16(20(14)29)17(26)11(3)4/h10-11,13,27-30H,1-9H3/t13-/m0/s1
SMILES C1(C(=O)C(C(=O)C(=C1O)[C@@H](C(C)C)c1c(c(c(c(c1O)C)O)C(=O)C(C)C)O)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeMyrtus communis Ref.
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