CHEBI:205983 - Stachybotrysin

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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 Stachybotrysin
ChEBI ID CHEBI:205983
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36O5
Net Charge 0
Average Mass 428.569
Monoisotopic Mass 428.25627
InChI InChI=1S/C26H36O5/c1-15-6-9-21-24(3,4)22(30)10-11-25(21,5)26(15)13-19-20(29)12-17(14-27)18(23(19)31-26)8-7-16(2)28/h7-8,12,15,21-22,27,29-30H,6,9-11,13-14H2,1-5H3/b8-7+/t15-,21+,22-,25+,26-/m1/s1
InChIKey WHSVMLKIVYFFBS-DTCCPBINSA-N
SMILES O=C(/C=C/C1=C(C=C(O)C2=C1O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@H]3C)C)C2)CO)C
Metabolite of Species Details
Stachybotrys (NCBI:txid74721) See: PubMed
ChEBI Ontology
Outgoing Stachybotrysin (CHEBI:205983) is a benzofurans (CHEBI:35259)
IUPAC Name
(E)-4-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-yl]but-3-en-2-one
Manual Xref Database
58197390 ChemSpider
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