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CHEBI:197746 - Stachybotrin A

ChEBI IDCHEBI:197746
ChEBI NameStachybotrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO5
Net Charge0
Average Mass401.503
Monoisotopic Mass401.22022
SMILESCC(C)=CCC/C(=C\CC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O)CO
InChIInChI=1S/C23H31NO5/c1-14(2)6-4-7-15(13-25)8-5-9-23(3)20(27)11-17-19(26)10-16-18(21(17)29-23)12-24-22(16)28/h6,8,10,20,25-27H,4-5,7,9,11-13H2,1-3H3,(H,24,28)/b15-8+/t20-,23-/m0/s1
InChIKeyZVZKOARXMVUPBB-KWOFNGTCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1007/bf02238217)
ChEBI Ontology
Outgoing Relation(s)
Stachybotrin A (CHEBI:197746) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2S,3S)-3,5-dihydroxy-2-[(3E)-4-(hydroxymethyl)-8-methylnona-3,7-dienyl]-2-methyl-3,4,8,9-tetrahydropyrano[2,3-e]isoindol-7-one
Manual XrefsDatabases
78439955ChemSpider