input word = C00000528

Metabolite InformationStructural formula
Name Betaenone A
Formula C21H34O5
Mw 366.2406242
CAS RN 85269-22-3
C_ID C00000528 ,
InChIKey FHJXKTOXQHRDTL-WZQJKAJYNA-N
InChICode InChI=1S/C21H34O5/c1-7-11(2)16-19(5)15-12(3)8-18(4,24)9-13(15)21(26,20(16,6)25)14(10-22)17(19)23/h10-13,15-16,22,24-26H,7-9H2,1-6H3/b14-10+/t11-,12-,13+,15+,16+,18-,19-,20-,21+/m1/s1
SMILES C1(=O)/C(=C\O)/[C@]2([C@@H]3[C@@H]([C@@]1([C@@H]([C@@]2(C)O)[C@@H](CC)C)C)[C@@H](C[C@](C3)(O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma betae Ref.
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