CHEBI:191848 - 28-Hydroxy-14-taraxeren-3-one

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 28-Hydroxy-14-taraxeren-3-one
ChEBI ID CHEBI:191848
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O2
Net Charge 0
Average Mass 440.712
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3
InChIKey YZWJBLKYECYVAO-UHFFFAOYSA-N
SMILES OCC12C(C3(C(C4(C(C5(C(CC4)C(C(=O)CC5)(C)C)C)CC3)C)=CC1)C)CC(CC2)(C)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing 28-Hydroxy-14-taraxeren-3-one (CHEBI:191848) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name
8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
Manual Xrefs Databases
35014351 ChemSpider
HMDB0037033 HMDB
View more database links