CHEBI:211959 - Chloroxaloterpin A

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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 Chloroxaloterpin A
ChEBI ID CHEBI:211959
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H37ClN2O3
Net Charge 0
Average Mass 485.070
Monoisotopic Mass 484.24927
InChI InChI=1S/C28H37ClN2O3/c1-6-27(4)15-13-19-18(17-27)11-12-22-26(2,3)23(14-16-28(19,22)5)34-25(33)31-24(32)30-21-10-8-7-9-20(21)29/h6-10,13,18,22-23H,1,11-12,14-17H2,2-5H3,(H2,30,31,32,33)/t18-,22+,23+,27-,28-/m0/s1
InChIKey GZAVKLHLRDXRRU-VNMIWZKSSA-N
SMILES ClC1=C(NC(=O)NC(=O)O[C@H]2C([C@@H]3[C@@](C4=CC[C@@](C=C)(C)C[C@@H]4CC3)(C)CC2)(C)C)C=CC=C1
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Chloroxaloterpin A (CHEBI:211959) 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-chlorophenyl)carbamoyl]carbamate