CHEBI:198687 - Oxaloterpin B

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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 Oxaloterpin B
ChEBI ID CHEBI:198687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38N2O4
Net Charge 0
Average Mass 418.578
Monoisotopic Mass 418.28316
InChI InChI=1S/C24H38N2O4/c1-6-23(4)11-9-17-16(15-23)7-8-18-22(2,3)19(10-12-24(17,18)5)30-21(29)26-20(28)25-13-14-27/h6,9,16,18-19,27H,1,7-8,10-15H2,2-5H3,(H2,25,26,28,29)/t16-,18+,19+,23-,24-/m0/s1
InChIKey DEUAMKIXCAXPMV-LQBJFXQCSA-N
SMILES O=C(O[C@H]1C([C@@H]2[C@@](C3=CC[C@@](C=C)(C)C[C@@H]3CC2)(C)CC1)(C)C)NC(=O)NCCO
Metabolite of Species Details
Streptomycesspecies KO-3988 (NCBI:txid285219) See: PubMed
ChEBI Ontology
Outgoing Oxaloterpin B (CHEBI:198687) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(2R,4aR,7S,8aS,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-2-yl] N-(2-hydroxyethylcarbamoyl)carbamate
Manual Xref Database
78436391 ChemSpider
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