input word = C00028172

Metabolite InformationStructural formula
Name Desacetyleleutherobin
Formula C33H46N2O9
Mw 614.32033108
CAS RN 213824-30-7
C_ID C00028172 ,
InChIKey NFDRTHOLSNXDNN-OLGVHTKJNA-N
InChICode InChI=1S/C33H46N2O9/c1-19(2)23-9-7-20(3)24-14-27(43-28(37)10-8-22-15-35(5)18-34-22)32(4)11-12-33(40-6,44-32)21(13-25(23)24)16-41-31-30(39)29(38)26(36)17-42-31/h7-8,10-13,15,18-19,23-27,29-31,36,38-39H,9,14,16-17H2,1-6H3/b10-8+,21-13-/t23-,24-,25+,26+,27+,29+,30+,31+,32+,33-/m1/s1
SMILES CO[C@]12C=CC(C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)cn1)CC1C(C)=CC[C@H](C(C)C)C1/C=CCO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Erythropodium caribaeorum Ref.
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OrganismErythropodium caribaeorum
ReferenceCinel,Org.Lett.,2,(2000),257