input word = C00039837

Metabolite InformationStructural formula
Name Neocyclocitrinol C
(+)-Neocyclocitrinol C
Formula C25H36O4
Mw 400.26135964
CAS RN 1042417-87-7
C_ID C00039837 ,
InChIKey HDGOYEAHQQCXLC-BEWWVGOWNA-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+/m0/s1
SMILES [C@H]12C[C@@H](CC=C([C@@H]3C(=CC1=O)[C@H]1[C@](CC3)([C@H](CC1)/C(=C/[C@H]([C@H](C)O)O)/C)C)C2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium citrinum HGY1-5 Ref.
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