input word = C00000532

Metabolite InformationStructural formula
Name Betaenone E
Formula C20H34O4
Mw 338.24570957
CAS RN 88899-17-6
C_ID C00000532 ,
InChIKey BXYJNGPPYVDNSK-LHCQZBSZNA-N
InChICode InChI=1S/C20H34O4/c1-8-11(2)16-19(6,13(4)21)15-12(3)9-18(5,23)10-14(15)17(22)20(16,7)24/h11-12,14-16,23-24H,8-10H2,1-7H3/t11-,12-,14+,15+,16-,18-,19+,20+/m1/s1
SMILES CC[C@@H](C)[C@@H]1[C@](C)(C(C)=O)[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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