input word = C00000530

Metabolite InformationStructural formula
Name Betaenone C
Formula C21H34O5
Mw 366.2406242
CAS RN 85269-25-6
C_ID C00000530 ,
InChIKey YRYPVWAJOMXOHH-TWHQGDPYNA-N
InChICode InChI=1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13+,14-,16-,17+,19+,20-,21-/m0/s1
SMILES CC[C@H](C)[C@@H]1[C@](C)(C(=O)/C=CO)[C@H]2[C@H](C)C[C@@](C)(O)C[C@@H]2C(=O)[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma betae Ref.
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OrganismPhoma betae
ReferenceIchihara,J.Am.Chem.Soc,105,(1983),2907

Ichihara,Agric.Biol.Chem,47,(1983),2965