CHEBI:214223 - Botrysphin H

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ChEBI Name Botrysphin H
ChEBI ID CHEBI:214223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-5-18(4)11-7-14-19-10-6-9-17(2,3)13(19)8-12-20(14,15(18)21)23-16(19)22/h5,7,13,15,21H,1,6,8-12H2,2-4H3/t13-,15-,18-,19+,20-/m0/s1
InChIKey AIUSWNWTNRKABC-DYWRSEPTSA-N
SMILES O=C1O[C@@]23[C@@H](O)[C@](C=C)(C)CC=C3[C@@]14[C@H](C(CCC4)(C)C)CC2
Metabolite of Species Details
Neofusicoccum laricinum (NCBI:txid121618) See: PubMed
ChEBI Ontology
Outgoing Botrysphin H (CHEBI:214223) is a γ-lactone (CHEBI:37581)
IUPAC Name
(1S,4S,9R,13R,14S)-13-ethenyl-14-hydroxy-5,5,13-trimethyl-15-oxatetracyclo[7.5.2.01,10.04,9]hexadec-10-en-16-one