input word = C00023996

Metabolite InformationStructural formula
Name LL-S491beta
Sphaeropsidin A
Formula C20H26O5
Mw 346.17802394
CAS RN 38991-80-9
C_ID C00023996 ,
InChIKey FEKFUWWVNCCROX-BRAAZFOYNA-N
InChICode InChI=1S/C20H26O5/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/h5,11,14,23-24H,1,6-10H2,2-4H3/t14-,17-,18-,19+,20+/m0/s1
SMILES C1[C@@](C=C2[C@](C1)([C@]13[C@@H]([C@](C2=O)(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.
zoom in