CHEBI:199725 - F1839-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 F1839-D
ChEBI ID CHEBI:199725
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/c1-11-5-6-16-21(2,3)19(27)15(26)9-22(16,4)23(11)8-13-14(25)7-12-10-24-20(28)17(12)18(13)29-23/h7,11,15-16,19,25-27H,5-6,8-10H2,1-4H3,(H,24,28)/t11-,15-,16+,19-,22+,23-/m1/s1
InChIKey NAYYHXFGJRKHMB-OKXHAOHDSA-N
SMILES O=C1NCC=2C1=C3O[C@]4([C@@]5([C@H](C([C@H](O)[C@@H](C5)O)(C)C)CC[C@H]4C)C)CC3=C(O)C2
Metabolite of Species Details
Stachybotrys (NCBI:txid74721) See: PubMed
ChEBI Ontology
Outgoing F1839-D (CHEBI:199725) is a isoindoles (CHEBI:24897)
IUPAC Name
(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,7-dihydro-3H-uro[3,2-g]isoindole]-8'-one
Manual Xref Database
8539131 ChemSpider
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