input word = C00038128

Metabolite InformationStructural formula
Name 12,13-Dihydroxyfumitremorgin C
12alpha,13alpha-Dihydroxyfumitremorgin C
Formula C22H25N3O5
Mw 411.17942093
CAS RN 111427-99-7
C_ID C00038128 ,
InChIKey CPHRCQUGNAGVIB-IEIUGVGONA-N
InChICode InChI=1S/C22H25N3O5/c1-11(2)9-16-18-17(13-7-6-12(30-3)10-14(13)23-18)19(26)22(29)21(28)24-8-4-5-15(24)20(27)25(16)22/h6-7,9-10,15-16,19,23,26,29H,4-5,8H2,1-3H3/t15-,16-,19-,22+/m0/s1
SMILES c12c([C@@H]([C@@]3(N([C@H]1C=C(C)C)C(=O)[C@H]1N(C3=O)CCC1)O)O)c1c([nH]2)cc(cc1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus A1163 Ref.
FungiTrichocomaceaeAspergillus fumigatus Af293 Ref.
FungiTrichocomaceaeAspergillus sydowi PFW1-13 Ref.
FungiTrichocomaceaeNeosartorya fischeri Ref.
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