CHEBI:170115 - Sideridiol

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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 Sideridiol
ChEBI ID CHEBI:170115
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H32O2
Net Charge 0
Average Mass 304.474
Monoisotopic Mass 304.24023
InChI InChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-17,21-22H,4-9,11-12H2,1-3H3/t14-,15+,16-,17+,18-,19+,20+/m1/s1
InChIKey BATFJLLEMUIAJD-PHUPPTAPSA-N
SMILES O[C@@H]1[C@]23[C@]([C@]4([C@@]([C@](CCC4)(CO)C)(C1)[H])C)(CC[C@](C2)(C(=C3)C)[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
ChEBI Ontology
Outgoing Sideridiol (CHEBI:170115) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name
(1R,2S,4S,5S,9R,10S,13R)-5-(hydroxymethyl)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-2-ol
Manual Xref Database
68026950 ChemSpider
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