CHEBI:222432 - Spirodihydrobenzofuranlactam II

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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 Spirodihydrobenzofuranlactam II
ChEBI ID CHEBI:222432
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H35NO5
Net Charge 0
Average Mass 429.557
Monoisotopic Mass 429.25152
InChI InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(28)7-8-24(19,4)25(14)12-16-18(31-25)11-15-17(21(16)29)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3
InChIKey LFDSCKHKJMUBAW-UHFFFAOYSA-N
SMILES O=C1N(CC2=C1C=C3OC4(C5(C(C(C(O)CC5)(C)C)CCC4C)C)CC3=C2O)CCO
Metabolite of Species Details
Stachybotrysspecies (NCBI:txid1718872) See: PubMed
ChEBI Ontology
Outgoing Spirodihydrobenzofuranlactam II (CHEBI:222432) is a isoindoles (CHEBI:24897)
IUPAC Name
3,4'-dihydroxy-6'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,5-dihydrouro[3,2-]isoindole]-7'-one
Manual Xref Database
412723 ChemSpider
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