CHEBI:191496 - Stigmastentriol

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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 Stigmastentriol
ChEBI ID CHEBI:191496
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H50O3
Net Charge 0
Average Mass 446.716
Monoisotopic Mass 446.37600
InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3
InChIKey NZSAHCYFUVNLPX-UHFFFAOYSA-N
SMILES OC1C2C3C(C(CC3)C(C(O)CC(C(C)C)CC)C)(CCC2C4(C(=C1)CC(O)CC4)C)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Stigmastentriol (CHEBI:191496) has parent hydride stigmastane (CHEBI:26773)
Stigmastentriol (CHEBI:191496) is a steroid (CHEBI:35341)
IUPAC Name
17-(5-ethyl-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Manual Xref Database
HMDB0029607 HMDB
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