CHEBI:212879 - Peaurantiogriseol B

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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 B
ChEBI ID CHEBI:212879
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/c1-11-3-5-13-9-12(10-18)4-6-14(13)16(11,2)15(19)7-8-17/h3,5,11-14,17-18H,4,6-10H2,1-2H3/t11-,12-,13-,14-,16-/m0/s1
InChIKey VWJYVZMBUDAVGY-YGJAXBLXSA-N
SMILES O=C([C@@]1([C@@H]2[C@@H](C=C[C@@H]1C)C[C@@H](CO)CC2)C)CCO
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Peaurantiogriseol B (CHEBI:212879) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name
1-[(1S,2S,4aR,6S,8aS)-6-(hydroxymethyl)-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual Xref Database
40256675 ChemSpider
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