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 CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(C)(C)O)O[C@H]3CC[C@]2(C)[C@@]51C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium janthinellum Ref.
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