input word = C00023571

Metabolite InformationStructural formula
Name Penitrem C
Formula C37H44ClNO4
Mw 601.29588661
CAS RN 37318-84-6
C_ID C00023571 ,
InChIKey BVVRIERIEDMORG-KJSKZSLFNA-N
InChICode InChI=1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3/t18-,20-,22+,25+,26+,27-,31-,32?,35-,36-,37-/m1/s1
SMILES c12c(cc3c4c1[C@@H]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]2C1=C[C@@H]([C@H](O2)C(=C)C)O)C)O)C)(C)C)Cl
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium crustosum Ref.
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