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CHEBI:199159 - Echinosporamicin

ChEBI IDCHEBI:199159
ChEBI NameEchinosporamicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H25N3O12
Net Charge0
Average Mass679.594
Monoisotopic Mass679.14382
SMILESCOc1c2ccc3c(=O)c4cc(C)n(CC(=O)N5C[C@@H](C(=O)O)NC(=O)[C@@H]5C)c(=O)c4c(=O)c3c2c(=O)c2c(O)c3cccc(=O)c3c(O)c12
InChIInChI=1S/C35H25N3O12/c1-12-9-17-24(34(47)37(12)11-20(40)38-10-18(35(48)49)36-33(46)13(38)2)30(44)22-15(27(17)41)7-8-16-23(22)31(45)25-26(32(16)50-3)29(43)21-14(28(25)42)5-4-6-19(21)39/h4-9,13,18,42-43H,10-11H2,1-3H3,(H,36,46)(H,48,49)/t13-,18-/m0/s1
InChIKeyBHANGVCPMDNAFU-UGSOOPFHSA-N
Species of MetaboliteComponentSourceComments
Micromonospora echinospora (ncbitaxon:1877) - DOI (10.1002/hlca.200490126)
ChEBI Ontology
Outgoing Relation(s)
Echinosporamicin (CHEBI:199159) is a tetracenes (CHEBI:51270)
IUPAC Name 
(2S,5S)-4-[2-(17,24-dihydroxy-15-methoxy-7-methyl-3,5,10,19,26-pentaoxo-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,12,15,17,20,22,24-decaen-6-yl)acetyl]-5-methyl-6-oxopiperazine-2-carboxylic acid
Manual XrefsDatabases
78439598ChemSpider