CHEBI:173156 - Spirotaccagenin

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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 Spirotaccagenin
ChEBI ID CHEBI:173156
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H42O5
Net Charge 0
Average Mass 446.628
Monoisotopic Mass 446.30322
InChI InChI=1S/C27H42O5/c1-16-23-22(32-27(16)11-10-26(30,14-28)15-31-27)13-21-19-5-4-17-12-18(29)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3
InChIKey LAJZFNUUUUJYJR-UHFFFAOYSA-N
SMILES O1C2C(C3(C(C4C(CC3)C5(C(=CC4)CC(O)CC5)C)C2)C)C(C16OCC(O)(CC6)CO)C
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in feces (BTO:0000440). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Spirotaccagenin (CHEBI:173156) is a triterpenoid (CHEBI:36615)
IUPAC Name
3'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-3',16-diol
Manual Xref Database
HMDB0034424 HMDB
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