input word = C00000529

Metabolite InformationStructural formula
Name Betaenone B
Formula C21H36O5
Mw 368.25627426
CAS RN 85269-23-4
C_ID C00000529 ,
InChIKey PUZNAAVWFXQUDM-SEQYFATPNA-N
InChICode InChI=1S/C21H36O5/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/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20+,21+/m1/s1
SMILES CC[C@@H](C)[C@@H]1[C@](C)(C(=O)CCO)[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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