CHEBI:209798 - Peaurantiogriseol A

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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 Peaurantiogriseol A
ChEBI ID CHEBI:209798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26O3
Net Charge 0
Average Mass 266.381
Monoisotopic Mass 266.18819
InChI InChI=1S/C16H26O3/c1-10-4-7-13-12(15(10)19)6-5-11(2)16(13,3)14(18)8-9-17/h5-6,10-13,15,17,19H,4,7-9H2,1-3H3/t10-,11-,12+,13-,15+,16-/m0/s1
InChIKey QICPCLSKODQDII-RNUZFXTQSA-N
SMILES O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1C)[C@H](O)[C@@H](C)CC2)C)CCO
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Peaurantiogriseol A (CHEBI:209798) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name
1-[(1S,2S,4aR,5R,6S,8aS)-5-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual Xref Database
40256674 ChemSpider
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