input word = C00045371

Metabolite InformationStructural formula
Name Phomadecalin B
(+)-Phomadecalin B
Formula C17H22O5
Mw 306.14672381
CAS RN 412023-86-0
C_ID C00045371 ,
InChIKey YSHGMEBFNCQBIY-SPFJMMEMNA-N
InChICode InChI=1S/C17H22O5/c1-9(8-21-11(3)18)17-14(20)7-12-5-6-13(19)10(2)16(12,4)15(17)22-17/h5-7,10,13-15,19-20H,1,8H2,2-4H3/t10-,13+,14+,15+,16+,17-/m0/s1
SMILES C=C(COC(C)=O)[C@@]12O[C@@H]1[C@@]1(C)C(=C[C@H]2O)C=C[C@@H](O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma sp. NRRL25697 Ref.
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