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CHEBI:214223 - Botrysphin H

ChEBI IDCHEBI:214223
ChEBI NameBotrysphin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC=C[C@@]1(C)CC=C2[C@@]34CCCC(C)(C)[C@@H]3CC[C@@]2(OC4=O)[C@H]1O
InChIInChI=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
InChIKeyAIUSWNWTNRKABC-DYWRSEPTSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (33069833)
ChEBI Ontology
Outgoing Relation(s)
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