CHEBI:209237 - Peniciversiol 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 Peniciversiol B
ChEBI ID CHEBI:209237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O4
Net Charge 0
Average Mass 278.348
Monoisotopic Mass 278.15181
InChI InChI=1S/C16H22O4/c1-15-5-3-11-7-10(9-17)8-12(18)14(11)16(15,2)13(19)4-6-20-15/h3,5,7,10,12,14,17-18H,4,6,8-9H2,1-2H3/t10-,12+,14-,15+,16-/m1/s1
InChIKey ARJXSLHALKAJPV-ZZIHQOKHSA-N
SMILES O=C1[C@]2([C@@](OCC1)(C=CC=3[C@@H]2[C@@H](O)C[C@@H](C3)CO)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Peniciversiol B (CHEBI:209237) is a organic heterotricyclic compound (CHEBI:26979)
Peniciversiol B (CHEBI:209237) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(4aS,8S,10S,10aS,10bR)-10-hydroxy-8-(hydroxymethyl)-4a,10b-dimethyl-2,3,8,9,10,10a-hexahydrobenzo[]chromen-1-one
Manual Xref Database
81131518 ChemSpider
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