input word = C00023997

Metabolite InformationStructural formula
Name LL-S491gamma
Sphaeropsidin B
Formula C20H28O5
Mw 348.193674
CAS RN 39022-38-3
C_ID C00023997 ,
InChIKey XJXDJAQAAAVDCT-ZFOWVGOMNA-N
InChICode InChI=1S/C20H28O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20-/m1/s1
SMILES C1[C@@](C=C2[C@](C1)([C@]13[C@@H]([C@]([C@@H]2O)(O)OC3=O)C(CCC1)(C)C)O)(C=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaeDiplodia mutila (Fr.) Mont. Ref.
FungiIncertae sedisSphaeropsis sapinea f.sp.cupressi Ref.
FungiTrichocomaceaeAspergillus chevalieri Lederle culture S491 Ref.
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