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CHEBI:207825 - Stachybotrysin F

ChEBI IDCHEBI:207825
ChEBI NameStachybotrysin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O5
Net Charge0
Average Mass428.569
Monoisotopic Mass428.25627
SMILESCC(=O)C[C@H]1OCc2cc(O)c3c(c21)O[C@]1(C3)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C26H36O5/c1-14-6-7-20-24(3,4)21(29)8-9-25(20,5)26(14)12-17-18(28)11-16-13-30-19(10-15(2)27)22(16)23(17)31-26/h11,14,19-21,28-29H,6-10,12-13H2,1-5H3/t14-,19-,20+,21-,25+,26-/m1/s1
InChIKeyONDQSZKGEZTPGB-KQTMFEHMSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (28530828)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrysin F (CHEBI:207825) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
1-[(3R,4aS,7R,8R,8'R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,8-dihydro-3H-uro[3,4-g][1]benzouran]-8'-yl]propan-2-one
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78438979ChemSpider