CHEBI:222003 - (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione

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ChEBI Name (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione
ChEBI ID CHEBI:222003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H38N2O6
Net Charge 0
Average Mass 510.631
Monoisotopic Mass 510.27299
InChI InChI=1S/C29H38N2O6/c1-3-16-13-18-14-17-7-4-5-9-22(34)30-12-6-8-19-26(35)25(29(36)31-19)20(32)10-11-21(33)27-28(37-27)24(17)23(18)15(16)2/h4-5,7,9-11,15-19,21,23-24,27-28,32-33H,3,6,8,12-14H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,9-5+,11-10+,25-20?/t15-,16-,17+,18+,19?,21-,23+,24+,27+,28+/m0/s1
InChIKey NLTDYCOHPJIAFP-SDLZGQCTSA-N
SMILES O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=C[C@@H]([C@@H]3[C@@H]([C@@H]4[C@H](C=CC=C1)C[C@H]5C[C@@H]([C@@H]([C@@H]45)C)CC)O3)O
Metabolite of Species Details
Streptomyces griseus (NCBI:txid1911) See: PubMed
ChEBI Ontology
Outgoing (3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione (CHEBI:222003) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,5S,6R,8R,9R,10S,11S,12S,14R,16S,17E,19E)-12-ethyl-2,5-dihydroxy-11-methyl-7-oxa-22,27-diazapentacyclo[24.2.1.06,8.09,16.010,14]nonacosa-1,3,17,19-tetraene-21,28,29-trione