CHEBI:204960 - PI-200

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 PI-200
ChEBI ID CHEBI:204960
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O2
Net Charge 0
Average Mass 262.393
Monoisotopic Mass 262.19328
InChI InChI=1S/C17H26O2/c1-4-13-10-15-11(2)9-12-7-5-6-8-14(12)17(15,3)16(18)19-13/h9,12-15H,4-8,10H2,1-3H3/t12-,13+,14-,15+,17+/m0/s1
InChIKey DOVJKETUGTWKML-LVNYTYFRSA-N
SMILES O=C1O[C@@H](C[C@H]2[C@]1([C@@H]3[C@@H](CCCC3)C=C2C)C)CC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing PI-200 (CHEBI:204960) is a organic heterotricyclic compound (CHEBI:26979)
PI-200 (CHEBI:204960) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,4aR,6aS,10aS,10bR)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one
Manual Xref Database
112579 ChemSpider
View more database links