CHEBI:209051 - 12-hydroxy-sclerosporin

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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 12-hydroxy-sclerosporin
ChEBI ID CHEBI:209051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O3
Net Charge 0
Average Mass 250.338
Monoisotopic Mass 250.15689
InChI InChI=1S/C15H22O3/c1-9-3-4-12-13(15(17)18)6-5-11(10(2)8-16)14(12)7-9/h6-7,10-12,14,16H,3-5,8H2,1-2H3,(H,17,18)/t10?,11-,12+,14-/m1/s1
InChIKey XBUHBZLIZBPSET-GPWHNMLOSA-N
SMILES O=C(O)C1=CC[C@H](C(CO)C)[C@@H]2[C@H]1CCC(=C2)C
Metabolite of Species Details
Cadophora malorum (NCBI:txid108018) See: PubMed
ChEBI Ontology
Outgoing 12-hydroxy-sclerosporin (CHEBI:209051) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4S,4aS,8aR)-4-(1-hydroxypropan-2-yl)-6-methyl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Manual Xref Database
24683872 ChemSpider
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