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CHEBI:213851 - Sclerotionigrin B

ChEBI IDCHEBI:213851
ChEBI NameSclerotionigrin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37NO4
Net Charge0
Average Mass463.618
Monoisotopic Mass463.27226
SMILESCC1=C(C)[C@H]2[C@@H](Cc3ccccc3)NC(=O)[C@@]23OC(=O)C=CCCCC[C@H](C)CC=C[C@@H]3[C@@H]1O
InChIInChI=1S/C29H37NO4/c1-19-12-7-4-5-10-17-25(31)34-29-23(16-11-13-19)27(32)21(3)20(2)26(29)24(30-28(29)33)18-22-14-8-6-9-15-22/h6,8-11,14-17,19,23-24,26-27,32H,4-5,7,12-13,18H2,1-3H3,(H,30,33)/t19-,23+,24+,26-,27+,29-/m0/s1
InChIKeyRLXFXMMCTJEPEZ-CUQWSXDKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sclerotioniger (ncbitaxon:319627) - PubMed (25006786)
ChEBI Ontology
Outgoing Relation(s)
Sclerotionigrin B (CHEBI:213851) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,10S,14R,15S,18S,19R)-19-benzyl-15-hydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,16-triene-3,21-dione