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CHEBI:190833 - Sterebin A

ChEBI IDCHEBI:190833
ChEBI NameSterebin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILES[H][C@@]12[C@@H](O)[C@H](O)[C@@](C)(O)[C@H](/C=C/C(C)=O)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C18H30O4/c1-11(19)7-8-12-17(4)10-6-9-16(2,3)14(17)13(20)15(21)18(12,5)22/h7-8,12-15,20-22H,6,9-10H2,1-5H3/b8-7+/t12-,13-,14+,15+,17-,18+/m1/s1
InChIKeyGUVJPXABQYFWPD-JOSLJWRDSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Sterebin A (CHEBI:190833) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(E)-4-[(1R,2S,3S,4R,4aS,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
Manual XrefsDatabases
10298847ChemSpider