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CHEBI:206196 - Stachybotrin

ChEBI IDCHEBI:206196
ChEBI NameStachybotrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO5
Net Charge0
Average Mass429.557
Monoisotopic Mass429.25152
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(C3=NCCO3)c(CO)c1O2
InChIInChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15(22-26-9-10-30-22)17(13-27)21(16)31-25/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19+,20-,24+,25-/m1/s1
InChIKeyZSDLLDNVSGVBTP-TUJJLKMMSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1007/bf02282366)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin (CHEBI:206196) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2R,4aS,5R,6R,8aS)-6'-(4,5-dihydro-1,3-oxazol-2-yl)-7'-(hydroxymethyl)-1,1,4a,6-tetramethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-3H-1-benzouran]-2,4'-diol
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