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

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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
ChEBI ID CHEBI:215906
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H52N2O7
Net Charge 0
Average Mass 600.797
Monoisotopic Mass 600.37745
InChI InChI=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
InChIKey ZEPBFVDNQHEQEH-YVSZJDEZSA-N
SMILES O=C1N2[C@H](C(=O)OC(C(CCCCC(O)C)C)CC(C(C(N[C@H]1CC3=CC=C(OCC=C(C)C)C=C3)=O)C)O)CCCC2
Metabolite of Species Details
Fusariumspecies (NCBI:txid29916) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Xref Database
9236204 ChemSpider
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