input word = C00023594

Metabolite InformationStructural formula
Name Janthitrem E
Formula C37H49NO6
Mw 603.3559883
CAS RN 90986-50-8
C_ID C00023594 ,
InChIKey TVRIMSLYKUNOPS-AQVQBWHZNA-N
InChICode InChI=1S/C37H49NO6/c1-32(2)17-23-19-15-25-20(14-21(19)29(40)28(23)34(5,6)44-32)22-13-18-9-12-37(42)24-16-26(39)31(33(3,4)41)43-27(24)10-11-35(37,7)36(18,8)30(22)38-25/h14-18,26-29,31,38-42H,9-13H2,1-8H3/t18-,26+,27-,28+,29+,31-,35+,36?,37+/m0/s1
SMILES C1(OC(C=C2[C@@H]1[C@@H](c1c2cc2c(c1)c1c([nH]2)[C@]2([C@H](C1)CC[C@@]1([C@@]2(CC[C@H]2C1=C[C@H]([C@H](O2)C(C)(C)O)O)C)O)C)O)(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Ref.
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