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CHEBI:200200 - Trichodermatide A

ChEBI IDCHEBI:200200
ChEBI NameTrichodermatide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O7
Net Charge0
Average Mass408.491
Monoisotopic Mass408.21480
SMILESCCCCCC[C@@H]1O[C@]23CC[C@H](O)[C@@]4(O)OC5=C(C(=O)[C@H](O)CC5)[C@H](C[C@@H]1O2)[C@H]34
InChIInChI=1S/C22H32O7/c1-2-3-4-5-6-14-16-11-12-18-15(8-7-13(23)19(18)25)29-22(26)17(24)9-10-21(27-14,28-16)20(12)22/h12-14,16-17,20,23-24,26H,2-11H2,1H3/t12-,13+,14-,16-,17-,20+,21+,22+/m0/s1
InChIKeyKBMYUOJGZWMLOK-OBPUOHQXSA-N
Species of MetaboliteComponentSourceComments
Trichoderma reesei (ncbitaxon:51453) - PubMed (18163636)
ChEBI Ontology
Outgoing Relation(s)
Trichodermatide A (CHEBI:200200) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,3S,4S,6R,9S,10S,15R,18S)-4-hexyl-9,10,15-trihydroxy-5,11,19-trioxapentacyclo[8.7.1.13,6.06,18.012,17]nonadec-12(17)-en-16-one
Manual XrefsDatabases
27023221ChemSpider