input word = C00060004

Metabolite InformationStructural formula
Name (12S,14aS)-1,2,3,5a,6,11,12,14a-Octahydro-5a-hydroxy-12-(2-methyl-1-propen-1-yl)-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione
Formula C21H23N3O3
Mw 365.17394162
CAS RN 1474011-99-8
C_ID C00060004
InChIKey YFEPEUHYAAENPV-MVWJYJSVSA-N
InChICode InChI=1S/C21H23N3O3/c1-12(2)10-17-18-14(13-6-3-4-7-15(13)22-18)11-21(27)20(26)23-9-5-8-16(23)19(25)24(17)21/h3-4,6-7,10,16-17,22,27H,5,8-9,11H2,1-2H3/t16-,17-,21?/m0/s1
SMILES CC(C)=CC1c2[nH]c3ccccc3c2CC2(O)C(=O)N3CCCC3C(=O)N12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
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