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CHEBI:205983 - Stachybotrysin

ChEBI IDCHEBI:205983
ChEBI NameStachybotrysin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O5
Net Charge0
Average Mass428.569
Monoisotopic Mass428.25627
SMILESCC(=O)/C=C/c1c(CO)cc(O)c2c1O[C@]1(C2)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C
InChIInChI=1S/C26H36O5/c1-15-6-9-21-24(3,4)22(30)10-11-25(21,5)26(15)13-19-20(29)12-17(14-27)18(23(19)31-26)8-7-16(2)28/h7-8,12,15,21-22,27,29-30H,6,9-11,13-14H2,1-5H3/b8-7+/t15-,21+,22-,25+,26-/m1/s1
InChIKeyWHSVMLKIVYFFBS-DTCCPBINSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (27726391)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrysin (CHEBI:205983) is a benzofurans (CHEBI:35259)
IUPAC Name 
(E)-4-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-yl]but-3-en-2-one
Manual XrefsDatabases
58197390ChemSpider