CHEBI:192187 - PC-M6

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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 PC-M6
ChEBI ID CHEBI:192187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H35NO3
Net Charge 0
Average Mass 421.581
Monoisotopic Mass 421.26169
InChI InChI=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
InChIKey FROHWGGMFSFTTA-QBCJVXSESA-N
SMILES O1[C@@]2(C(C3[C@@]([C@@]4([C@@](CC3)(CC5=C4NC=6C5=CC=CC6)[H])C)(CC2)C)=C[C@@H](O)[C@]1(C(O)(C)C)[H])[H]
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014606 ChemSpider
HMDB0038568 HMDB
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