CHEBI:181752 - 12-Epinapelline

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 12-Epinapelline
ChEBI ID CHEBI:181752
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H33NO3
Net Charge 0
Average Mass 359.510
Monoisotopic Mass 359.24604
InChI InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3
InChIKey AZAZKLKDEOMJBJ-UHFFFAOYSA-N
SMILES OC1C23C4C5(C6C3N(CC(C2C6)(CC1)C)CC)CC(C(O)C4)C(C5O)=C
ChEBI Ontology
Outgoing 12-Epinapelline (CHEBI:181752) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name
11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
Manual Xref Database
2386628 ChemSpider
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