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CHEBI:210456 - Speradine C

ChEBI IDCHEBI:210456
ChEBI NameSperadine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O7
Net Charge0
Average Mass414.414
Monoisotopic Mass414.14270
SMILESCN1C(=O)[C@]23OC(=O)[C@]45O[C@](C)(O)[C@H](O)C(=O)N4C(C)(C)[C@H](Cc4cccc1c42)[C@@H]53
InChIInChI=1S/C21H22N2O7/c1-18(2)10-8-9-6-5-7-11-12(9)20(16(26)22(11)4)13(10)21(17(27)29-20)23(18)15(25)14(24)19(3,28)30-21/h5-7,10,13-14,24,28H,8H2,1-4H3/t10-,13-,14-,19+,20+,21+/m1/s1
InChIKeyRHFFQULQDSVSJZ-ARHGDUTDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - DOI (10.3987/com-14-13004)
ChEBI Ontology
Outgoing Relation(s)
Speradine C (CHEBI:210456) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,4S,6S,7S,11R,20R)-6,7-dihydroxy-6,10,10,18-tetramethyl-2,5-dioxa-9,18-diazahexacyclo[9.8.1.11,13.04,9.04,20.017,21]henicosa-13(21),14,16-triene-3,8,19-trione
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35000211ChemSpider