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 c12c(cc3c4c1[C@]1([C@@H](C(=C)C2)C[C@@H]1C(O[C@@H]1c4c([nH]3)[C@]2([C@H]1CC[C@@]1([C@@]2(CC[C@H]2[C@@]31[C@@H]([C@@H]1[C@H](O2)C(O1)(C)C)O3)C)O)C)(C)C)O)Cl
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium nigricans IMI 228669 Ref.
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