input word = C00039835

Metabolite InformationStructural formula
Name Neocyclocitrinol A
(+)-Neocyclocitrinol A
Formula C25H36O4
Mw 400.26135964
CAS RN 1042417-86-6
C_ID C00039835 ,
InChIKey HDGOYEAHQQCXLC-LGOQSFMZNA-N
InChICode InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17+,18-,19-,21-,22+,23-,25-/m1/s1
SMILES C/C(=C[C@@H](O)[C@@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium citrinum HGY1-5 Ref.
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