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CHEBI:207820 - Stachybotrysin E

ChEBI IDCHEBI:207820
ChEBI NameStachybotrysin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
SMILESC=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(COC(C)=O)c(C=O)c1O2
InChIInChI=1S/C25H32O6/c1-14-6-7-20-23(3,4)21(29)8-9-24(20,5)25(14)11-17-19(28)10-16(13-30-15(2)27)18(12-26)22(17)31-25/h10,12,20-21,28-29H,1,6-9,11,13H2,2-5H3/t20-,21+,24-,25+/m0/s1
InChIKeyPNBXBCWKUQPMIY-PEARBKPGSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (28530828)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrysin E (CHEBI:207820) is a benzofurans (CHEBI:35259)
IUPAC Name 
[(3R,4aS,8R,8aS)-7'-ormyl-3,4'-dihydroxy-4,4,8a-trimethyl-7-methylidenespiro[1,2,3,4a,5,6-hexahydronaphthalene-8,2'-3H-1-benzouran]-6'-yl]methyl acetate
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78438978ChemSpider