CHEBI:209138 - 10-epi-xanthobaccin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 10-epi-xanthobaccin C
ChEBI ID CHEBI:209138
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H38N2O5
Net Charge 0
Average Mass 494.632
Monoisotopic Mass 494.27807
InChI InChI=1S/C29H38N2O5/c1-3-16-12-18-13-20-19-6-4-8-24(34)30-11-5-7-21-28(35)27(29(36)31-21)22(32)10-9-17(19)14-23(33)26(20)25(18)15(16)2/h4,8-10,15-21,25-26,32H,3,5-7,11-14H2,1-2H3,(H,30,34)(H,31,36)/b8-4-,10-9+,27-22?/t15-,16?,17+,18+,19-,20+,21+,25+,26-/m1/s1
InChIKey DAZWHCJBSRQVSC-LQXARYHSSA-N
SMILES O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=C[C@@H]3[C@@H](CC=C1)[C@H]4[C@@H]([C@H]5[C@@H](C(CC)C[C@H]5C4)C)C(C3)=O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 10-epi-xanthobaccin C (CHEBI:209138) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,5R,8S,9R,10R,13S,15S,16R,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone