input word = C00045429

Metabolite InformationStructural formula
Name Tunichrome Sp-1
Formula C33H37N5O10
Mw 663.25404244
CAS RN 406673-91-4
C_ID C00045429 ,
InChIKey AQYGCJOAEAROGD-KOOGZEGANA-N
InChICode InChI=1S/C33H37N5O10/c34-21(12-19-4-7-25(40)28(43)15-19)31(46)37-22(13-20-5-8-26(41)29(44)16-20)32(47)36-17-30(45)38-11-1-2-23(38)33(48)35-10-9-18-3-6-24(39)27(42)14-18/h3-10,14-16,21-23,39-44H,1-2,11-13,17,34H2,(H,35,48)(H,36,47)(H,37,46)/b10-9+/t21-,22-,23-/m0/s1
SMILES c1(ccc(cc1O)C[C@H](N)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N/C=C/c1cc(c(cc1)O)O)Cc1cc(c(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaStyelidaeStyela plicata Ref.
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