input word = C00026812

Metabolite InformationStructural formula
Name Thiersinine B
Formula C29H35NO7
Mw 509.24135248
CAS RN 468733-27-9
C_ID C00026812 ,
InChIKey PWHBDZKTABFTQX-LRJGZRSUNA-N
InChICode InChI=1S/C29H35NO7/c1-16(31)36-24(2,3)29(35)22(33)15-27(37-29)21(32)11-12-25(4)26(5)17(10-13-28(25,27)34)14-19-18-8-6-7-9-20(18)30-23(19)26/h6-9,17,30,34-35H,10-15H2,1-5H3/t17-,25+,26+,27+,28-,29+/m0/s1
SMILES c1ccc2c(c1)c1c([nH]2)[C@]2([C@H](C1)CC[C@@]1([C@@]2(CCC(=O)[C@]21O[C@](C(=O)C2)(C(C)(C)OC(=O)C)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium thiersii NRRL 28147 Ref.
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OrganismPenicillium thiersii NRRL 28147
ReferenceGloer,Org.Lett.,4,(2002),3095