CHEBI:226476 - Psathyrin 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 Psathyrin B
ChEBI ID CHEBI:226476
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-12(10-21)15-9-17(23)20-16-8-13(11-22)4-5-14(16)18(20,2)6-7-19(15,20)3/h8,12,14-16,21-22H,4-7,9-11H2,1-3H3/t12-,14+,15-,16-,18-,19-,20-/m1/s1
InChIKey WVISPAPYWRUURB-RKOCXBKQSA-N
SMILES O=C1[C@@]23[C@@](CC[C@@]2([C@H]4CCC(=C[C@@H]34)CO)C)(C)[C@H](C1)[C@@H](CO)C
Metabolite of Species Details
Candolleomyces candolleanus (NCBI:txid71730) See: PubMed
ChEBI Ontology
Outgoing Psathyrin B (CHEBI:226476) is a ketone (CHEBI:17087)
IUPAC Name
(1R,2R,7S,8R,11R,12R)-4-(hydroxymethyl)-12-[(2S)-1-hydroxypropan-2-yl]-8,11-dimethyltetracyclo[6.6.0.01,11.02,7]tetradec-3-en-14-one