input word = C00023567

Metabolite InformationStructural formula
Name Penitrem A
Formula C37H44ClNO6
Mw 633.28571585
CAS RN 12627-35-9
C_ID C00023567 ,
InChIKey JDUWHZOLEDOQSR-OPOZECLYNA-N
InChICode InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,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]([C@H](O2)C(=C)C)O)O3)C)O)C)(C)C)O)Cl
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium crustosum Ref.
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OrganismPenicillium crustosum
ReferenceJesus,J.Chem.Soc.Perkin Trans.1,(1983),1847-1856