input word = C00025536

Metabolite InformationStructural formula
Name Chaetocin
Formula C30H28N6O6S4
Mw 696.09531559
CAS RN 28097-03-2
C_ID C00025536 ,
InChIKey PZPPOCZWRGNKIR-KFPPSCGWNA-N
InChICode InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1
SMILES c12c(cccc1)[C@@]1([C@H](N2)N2[C@]3(C1)C(=O)N([C@](C2=O)(SS3)CO)C)[C@@]12c3c(cccc3)N[C@@H]1N1[C@]3(C2)C(=O)N([C@](C1=O)(SS3)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Chaetonium minutum Ref.
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