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CHEBI:192187 - PC-M6

ChEBI IDCHEBI:192187
ChEBI NamePC-M6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35NO3
Net Charge0
Average Mass421.581
Monoisotopic Mass421.26169
SMILES[H][C@@]12CCC3C4=C[C@@H](O)[C@@]([H])(C(C)(C)O)O[C@@]4([H])CC[C@]3(C)[C@@]1(C)c1nc3ccccc3c1C2
InChIInChI=1S/C27H35NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,21-22,24,28-30H,9-13H2,1-4H3/t15-,19?,21+,22-,24-,26-,27+/m0/s1
InChIKeyFROHWGGMFSFTTA-QBCJVXSESA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
PC-M6 (CHEBI:192187) is a organic heterotricyclic compound (CHEBI:26979)
PC-M6 (CHEBI:192187) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5S,7S,8R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-ol
Manual XrefsDatabases
35014606ChemSpider
HMDB0038568HMDB