input word = C00011250

Metabolite InformationStructural formula
Name Fumigaclavine C
(8S,9S)-Fumigaclavine C
Formula C23H30N2O2
Mw 366.23072822
CAS RN 62867-47-4
C_ID C00011250 ,
InChIKey OSICWVVWEXKSBD-SKJCSWKVNA-N
InChICode InChI=1S/C23H30N2O2/c1-7-23(4,5)22-16-11-18-20(15-9-8-10-17(24-22)19(15)16)21(27-14(3)26)13(2)12-25(18)6/h7-10,13,18,20-21,24H,1,11-12H2,2-6H3/t13-,18-,20-,21+/m1/s1
SMILES C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@H](C)CN1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
FungiTrichocomaceaeNeosartorya fumigata Ref.
--Aspergullus fumigatus Ref.
--Isaria tenuipes BCC12625 Ref.
--Neosartarya fumigata Af293 Ref.
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OrganismAspergullus fumigatus
ReferenceN.Gerhards et al.,Toxins,6,(2014),3281-3295