input word = C00059042

Metabolite InformationStructural formula
Name (5aR,12S,14aS)-2,3,11,12-Tetrahydro-5a-hydroxy-11-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-9-methoxy-12-(2-methyl-1-propen-1-yl)-1H,5H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,6,14(5aH,14aH)-trione
Formula C27H31N3O6
Mw 493.22128574
CAS RN 1054470-64-2
C_ID C00059042
InChIKey CNFVMBPNVPQJPY-ZIGWAZCJSA-N
InChICode InChI=1S/C27H31N3O6/c1-14(2)11-20-23-22(17-9-8-16(36-5)12-19(17)29(23)13-21(31)15(3)4)24(32)27(35)26(34)28-10-6-7-18(28)25(33)30(20)27/h8-9,11-12,18,20-21,31,35H,3,6-7,10,13H2,1-2,4-5H3/t18-,20-,21+,27+/m0/s1
SMILES C=C(C)C(O)Cn1c2c(c3ccc(OC)cc31)C(=O)C1(O)C(=O)N3CCCC3C(=O)N1C2C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
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