input word = C00000531

Metabolite InformationStructural formula
Name Betaenone D
Formula C21H36O6
Mw 384.25118888
CAS RN 88899-16-5
C_ID C00000531 ,
InChIKey GZZDPJWUAOGKFV-XOXIWMKGNA-N
InChICode InChI=1S/C21H36O6/c1-6-12(2)17-19(4,15(24)7-8-22)16-13(3)9-21(27,11-23)10-14(16)18(25)20(17,5)26/h12-14,16-17,22-23,26-27H,6-11H2,1-5H3/t12-,13-,14+,16+,17-,19+,20+,21-/m1/s1
SMILES [C@@H]1([C@@](C(=O)[C@@H]2[C@@H]([C@@]1(C(=O)CCO)C)[C@@H](C[C@](C2)(O)CO)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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