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CHEBI:215906 - (3S,12S)-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione

ChEBI IDCHEBI:215906
ChEBI Name(3S,12S)-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52N2O7
Net Charge0
Average Mass600.797
Monoisotopic Mass600.37745
SMILESCC(C)=CCOc1ccc(C[C@@H]2NC(=O)C(C)C(O)CC(C(C)CCCCC(C)O)OC(=O)[C@@H]3CCCCN3C2=O)cc1
InChIInChI=1S/C34H52N2O7/c1-22(2)17-19-42-27-15-13-26(14-16-27)20-28-33(40)36-18-9-8-12-29(36)34(41)43-31(21-30(38)25(5)32(39)35-28)23(3)10-6-7-11-24(4)37/h13-17,23-25,28-31,37-38H,6-12,18-21H2,1-5H3,(H,35,39)/t23?,24?,25?,28-,29-,30?,31?/m0/s1
InChIKeyZEPBFVDNQHEQEH-YVSZJDEZSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (12049526)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3S,12S)-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione (CHEBI:215906) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,12S)-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-10-oxa-1,4-diazabicyclo[10.4.0]hexadecane-2,5,11-trione
Manual XrefsDatabases
9236204ChemSpider