CHEBI:211800 - Nominine

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 Nominine
ChEBI ID CHEBI:211800
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)9-8-15-28-24(17-22-18-29-25-11-7-6-10-23(22)25)20(3)14-16-27(28,5)21(4)12-13-26(28)30/h6-7,9-11,18,21,24,26,29-30H,3,8,12-17H2,1-2,4-5H3/t21-,24-,26+,27+,28-/m1/s1
InChIKey BSSPRCKKWJRAJZ-LSKARBNJSA-N
SMILES O[C@@H]1[C@@]2([C@]([C@H](C)CC1)(CCC([C@H]2CC=3C4=C(C=CC=C4)NC3)=C)C)CCC=C(C)C
Metabolite of Species Details
Aspergillus nomiae NRRL 13137 (NCBI:txid1509407) See: DOI
ChEBI Ontology
Outgoing Nominine (CHEBI:211800) is a indoles (CHEBI:24828)
IUPAC Name
(1S,4R,4aS,8R,8aS)-8-(1H-indol-3-ylmethyl)-4,4a-dimethyl-7-methylidene-8a-(4-methylpent-3-enyl)-2,3,4,5,6,8-hexahydro-1H-naphthalen-1-ol
Manual Xref Database
10135375 ChemSpider
View more database links