CHEBI:219828 - Sterebin R

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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 R
ChEBI ID CHEBI:219828
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H36O5
Net Charge 0
Average Mass 356.503
Monoisotopic Mass 356.25627
InChI InChI=1S/C20H36O5/c1-12(13(22)11-21)7-8-14-19(4)10-6-9-18(2,3)16(19)15(23)17(24)20(14,5)25/h7,13-17,21-25H,6,8-11H2,1-5H3/b12-7-/t13-,14-,15-,16+,17+,19-,20+/m1/s1
InChIKey QGGRAHWRHLUOQO-YVMARZELSA-N
SMILES O[C@@]1([C@@H](O)[C@H](O)[C@H]2C(CCC[C@@]2([C@H]1C/C=C(\[C@H](O)CO)/C)C)(C)C)C
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) See: DOI
ChEBI Ontology
Outgoing Sterebin R (CHEBI:219828) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S,3S,4R,4aS,8aS)-4-[(Z,4S)-4,5-dihydroxy-3-methylpent-2-enyl]-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
Manual Xref Database
78437639 ChemSpider
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