CHEBI:213205 - Thiersindole C

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 Thiersindole C
ChEBI ID CHEBI:213205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39NO
Net Charge 0
Average Mass 405.626
Monoisotopic Mass 405.30316
InChI InChI=1S/C28H39NO/c1-19(2)9-8-16-27(4)23-13-12-20(3)28(5,24(23)14-15-26(27)30)17-21-18-29-25-11-7-6-10-22(21)25/h6-7,9-11,18,20,26,29-30H,8,12-17H2,1-5H3/t20-,26-,27-,28+/m0/s1
InChIKey OCYNSSRIJRLWML-QGQKXLEHSA-N
SMILES O[C@@H]1[C@](C2=C([C@@]([C@@H](C)CC2)(CC=3C4=C(C=CC=C4)NC3)C)CC1)(CCC=C(C)C)C
Metabolite of Species Details
Penicillium thiersii (NCBI:txid116978) See: PubMed
ChEBI Ontology
Outgoing Thiersindole C (CHEBI:213205) is a indoles (CHEBI:24828)
IUPAC Name
(1S,2S,5R,6S)-5-(1H-indol-3-ylmethyl)-1,5,6-trimethyl-1-(4-methylpent-3-enyl)-2,3,4,6,7,8-hexahydronaphthalen-2-ol
Manual Xref Database
9233745 ChemSpider
View more database links