input word = C00023572

Metabolite InformationStructural formula
Name Penitrem D
Formula C37H45NO4
Mw 567.33485893
CAS RN 78213-64-6
C_ID C00023572 ,
InChIKey XOASTWITKYDKAJ-KCBQEXKHNA-N
InChICode InChI=1S/C37H45NO4/c1-17(2)31-25(39)16-22-26(41-31)11-12-35(6)36(7)21(10-13-37(22,35)40)32-30-29-24(38-33(30)36)9-8-19-14-18(3)20-15-23(28(20)27(19)29)34(4,5)42-32/h8-9,16,20-21,23,25-26,28,31-32,38-40H,1,3,10-15H2,2,4-7H3/t20-,21+,23+,25-,26+,28+,31-,32+,35-,36-,37-/m1/s1
SMILES c12ccc3c4c1[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
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium crustosum Ref.
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