input word = C00023575

Metabolite InformationStructural formula
Name Pennigritrem
Formula C37H44ClNO6
Mw 633.28571585
CAS RN 139682-30-7
C_ID C00023575 ,
InChIKey HYLKKEXCEIKCIN-LXNCFMIINA-N
InChICode InChI=1S/C37H44ClNO6/c1-15-12-16-19(38)14-20-23-24-26(43-31(2,3)21-13-18(15)36(21,41)25(16)23)17-8-11-35(40)33(6,34(17,7)28(24)39-20)10-9-22-37(35)30(45-37)27-29(42-22)32(4,5)44-27/h14,17-18,21-22,26-27,29-30,39-41H,1,8-13H2,2-7H3/t17-,18+,21+,22-,26-,27-,29-,30+,33+,34+,35-,36+,37-/m0/s1
SMILES C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@@]2(O)[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CCC2(O)[C@@]35O[C@@H]3[C@H]3OC(C)(C)[C@H]3O[C@H]5CC[C@]2(C)[C@@]41C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium nigricans IMI 228669 Ref.
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OrganismPenicillium nigricans IMI 228669
ReferencePenn,J.Chem.Soc.Perkin Trans.1,(1991),23-26