input word = C00026813

Metabolite InformationStructural formula
Name Thomitrem A
Formula C37H44ClNO6
Mw 633.28571585
CAS RN 502759-46-8
C_ID C00026813 ,
InChIKey PMPHDHXBVFVWMQ-PBXCEFSDNA-N
InChICode InChI=1S/C37H44ClNO6/c1-16(2)29-28(40)31-37(45-31)25(44-29)9-10-33(6)34(7)18(8-11-35(33,37)42)13-20-26-23(39-30(20)34)15-22(38)19-12-17(3)21-14-24(32(4,5)41)36(21,43)27(19)26/h13,15,21,24-25,28-29,31,39-43H,1,3,8-12,14H2,2,4-7H3/t21-,24-,25+,28+,29-,31+,33-,34-,35+,36?,37-/m1/s1
SMILES c12c(cc3c(c1[C@@]1([C@@H](C(=C)C2)C[C@@H]1C(C)(O)C)O)c1c([nH]3)[C@]2(C(=C1)CC[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)Cl
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium crustosum Thom Ref.
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OrganismPenicillium crustosum Thom
ReferenceWilkins,Phytochem.,61,(2002),979