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CHEBI:223228 - Trichodermarin A

ChEBI IDCHEBI:223228
ChEBI NameTrichodermarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC1=C[C@]23O[C@@H]4C[C@@H](O)[C@](C)([C@@]2(C)CC1)[C@]4(CO)O3
InChIInChI=1S/C15H22O4/c1-9-4-5-12(2)13(3)10(17)6-11-14(13,8-16)19-15(12,7-9)18-11/h7,10-11,16-17H,4-6,8H2,1-3H3/t10-,11-,12-,13-,14-,15-/m1/s1
InChIKeyJIJNSMKVZQMTNR-BXLXJSPXSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30860372)
ChEBI Ontology
Outgoing Relation(s)
Trichodermarin A (CHEBI:223228) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,6R,7S,8R,10R,11R)-11-(hydroxymethyl)-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.01,6.07,11]tridec-2-en-8-ol
Manual XrefsDatabases
61708719ChemSpider