CHEBI:207815 - Stachybotrysin D

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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 D
ChEBI ID CHEBI:207815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O8S
Net Charge 0
Average Mass 468.560
Monoisotopic Mass 468.18179
InChI InChI=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
InChIKey VFZPWGCJUCFEPY-QJAXDWLUSA-N
SMILES S(=O)(=O)(OCC1=C(C=2O[C@]3([C@@]4([C@H](C([C@H](O)CC4)(C)C)CC[C@H]3C)C)CC2C(=C1)O)C=O)O
Metabolite of Species Details
Stachybotrys (NCBI:txid74721) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78438977 ChemSpider
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