input word = C00023573

Metabolite InformationStructural formula
Name Penitrem E
Formula C37H45NO6
Mw 599.32468818
CAS RN 78213-66-8
C_ID C00023573 ,
InChIKey LTCFBVUSILPMGG-QBGYTWOFNA-N
InChICode InChI=1S/C37H45NO6/c1-16(2)28-27(39)31-37(44-31)23(42-28)11-12-33(6)34(7)19(10-13-35(33,37)40)29-25-24-21(38-30(25)34)9-8-18-14-17(3)20-15-22(32(4,5)43-29)36(20,41)26(18)24/h8-9,19-20,22-23,27-29,31,38-41H,1,3,10-15H2,2,4-7H3/t19-,20+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
SMILES c12ccc3c4c1[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
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium crustosum Ref.
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