CHEBI:197746 - Stachybotrin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stachybotrin A
ChEBI ID CHEBI:197746
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31NO5
Net Charge 0
Average Mass 401.503
Monoisotopic Mass 401.22022
InChI InChI=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
InChIKey ZVZKOARXMVUPBB-KWOFNGTCSA-N
SMILES O=C1NCC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CC/C=C(/CO)\CCC=C(C)C)C
Metabolite of Species Details
Stachybotrys (NCBI:txid74721) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78439955 ChemSpider
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