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CHEBI:207815 - Stachybotrysin D

ChEBI IDCHEBI:207815
ChEBI NameStachybotrysin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O8S
Net Charge0
Average Mass468.568
Monoisotopic Mass468.18179
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(COS(=O)(=O)O)c(C=O)c1O2
InChIInChI=1S/C23H32O8S/c1-13-5-6-18-21(2,3)19(26)7-8-22(18,4)23(13)10-15-17(25)9-14(12-30-32(27,28)29)16(11-24)20(15)31-23/h9,11,13,18-19,25-26H,5-8,10,12H2,1-4H3,(H,27,28,29)/t13-,18+,19-,22+,23-/m1/s1
InChIKeyVFZPWGCJUCFEPY-QJAXDWLUSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (28530828)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrysin D (CHEBI:207815) is a benzofurans (CHEBI:35259)
IUPAC Name 
[(3R,4aS,7R,8R,8aS)-7'-ormyl-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-6'-yl]methyl hydrogen sulate
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