CHEBI:226471 - Psathyrin 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 Psathyrin A
ChEBI ID CHEBI:226471
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/c1-11(2)13-9-16(23)20-14-7-12(10-21)8-15(22)17(14)19(20,4)6-5-18(13,20)3/h7,11,13-15,17,21-22H,5-6,8-10H2,1-4H3/t13-,14-,15-,17-,18-,19-,20+/m1/s1
InChIKey MIAASKULIRSWTB-BHHNFVLOSA-N
SMILES O=C1[C@@]23[C@@](CC[C@@]2([C@H]4[C@H](O)CC(=C[C@@H]34)CO)C)(C)[C@H](C1)C(C)C
Metabolite of Species Details
Candolleomyces candolleanus (NCBI:txid71730) See: PubMed
ChEBI Ontology
Outgoing Psathyrin A (CHEBI:226471) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1S,2R,6R,7S,8R,11R,12R)-6-hydroxy-4-(hydroxymethyl)-8,11-dimethyl-12-propan-2-yltetracyclo[6.6.0.01,11.02,7]tetradec-3-en-14-one