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CHEBI:205809 - Stachybotrysin H

ChEBI IDCHEBI:205809
ChEBI NameStachybotrysin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O6
Net Charge0
Average Mass444.568
Monoisotopic Mass444.25119
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)[C@H](O)C[C@@]21C
InChIInChI=1S/C26H36O6/c1-13-6-7-20-24(3,4)23(30)18(29)11-25(20,5)26(13)10-16-17(28)9-15-12-31-19(8-14(2)27)21(15)22(16)32-26/h9,13,18-20,23,28-30H,6-8,10-12H2,1-5H3/t13-,18-,19-,20+,23-,25+,26-/m1/s1
InChIKeyYQQLFNGTZOJDPF-NBOFVFJSSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (30614271)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrysin H (CHEBI:205809) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
1-[(2R,3S,4aS,7R,8R,8'R,8aS)-2,3,4'-trihydroxy-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