input word = C00026811

Metabolite InformationStructural formula
Name Thiersinine A
Formula C30H37NO7
Mw 523.25700254
CAS RN 468733-26-8
C_ID C00026811 ,
InChIKey HGNVJOIZPKHOCX-CDDFCUBNNA-N
InChICode InChI=1S/C30H37NO7/c1-17(32)37-25(2,3)30(35)22(33)16-28(38-30)23(36-6)12-13-26(4)27(5)18(11-14-29(26,28)34)15-20-19-9-7-8-10-21(19)31-24(20)27/h7-10,12,18,31,34-35H,11,13-16H2,1-6H3/t18-,26+,27+,28+,29-,30+/m0/s1
SMILES COC1=CC[C@@]2(C)[C@@](O)(CC[C@H]3Cc4c([nH]c5ccccc45)[C@@]32C)[C@@]12CC(=O)[C@](O)(C(C)(C)OC(C)=O)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium thiersii NRRL 28147 Ref.
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