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 [C@@H]1([C@@](C(=O)[C@@H]2[C@@H]([C@@]1(C(=O)/C=C\O)C)[C@@H](C[C@](C2)(O)C)C)(O)C)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma betae Ref.
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