CHEBI:202541 - Sterebin Q3

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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 Sterebin Q3
ChEBI ID CHEBI:202541
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H36O6
Net Charge 0
Average Mass 372.502
Monoisotopic Mass 372.25119
InChI InChI=1S/C20H36O6/c1-17(2)8-6-9-18(3)12(7-10-19(4,25)13(22)11-21)20(5,26)16(24)14(23)15(17)18/h7,10,12-16,21-26H,6,8-9,11H2,1-5H3/b10-7+/t12-,13-,14-,15+,16+,18-,19+,20+/m1/s1
InChIKey FWILCTKPZALIAU-MPKAWLSPSA-N
SMILES O[C@]1([C@H](/C=C/[C@](O)([C@H](O)CO)C)[C@@]2([C@H](C(CCC2)(C)C)[C@H]([C@@H]1O)O)C)C
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) See: DOI
ChEBI Ontology
Outgoing Sterebin Q3 (CHEBI:202541) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S,3S,4R,4aS,8aS)-3,4a,8,8-tetramethyl-4-[(E,3S,4R)-3,4,5-trihydroxy-3-methylpent-1-enyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
Manual Xref Database
78436887 ChemSpider
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