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CHEBI:202517 - Hydnellin B

ChEBI IDCHEBI:202517
ChEBI NameHydnellin B
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SubmitterMetaboLights
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FormulaC32H34N2O11
Net Charge0
Average Mass622.627
Monoisotopic Mass622.21626
SMILESCC[C@H](C)CC1(N(O)C(=O)/C(=N/OC)[C@@H](C)CC)Oc2ccc(C3=C(O)C(=O)C(c4ccc(O)cc4)=C(O)C3=O)cc2OC1=O
InChIInChI=1S/C32H34N2O11/c1-6-16(3)15-32(34(42)30(40)25(33-43-5)17(4)7-2)31(41)44-22-14-19(10-13-21(22)45-32)24-28(38)26(36)23(27(37)29(24)39)18-8-11-20(35)12-9-18/h8-14,16-17,35-36,39,42H,6-7,15H2,1-5H3/b33-25+/t16-,17-,32?/m0/s1
InChIKeyLKOZTADJUQPEKD-NNIDEIGRSA-N
Species of MetaboliteComponentSourceComments
Hydnellum suaveolens (ncbitaxon:524030) - PubMed (16755070)
ChEBI Ontology
Outgoing Relation(s)
Hydnellin B (CHEBI:202517) has functional parent α-amino acid (CHEBI:33704)
Hydnellin B (CHEBI:202517) is a organonitrogen compound (CHEBI:35352)
Hydnellin B (CHEBI:202517) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2E,3S)-N-[6-[2,5-dihydroxy-4-(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-[(2S)-2-methylbutyl]-3-oxo-1,4-benzodioxin-2-yl]-N-hydroxy-2-methoxyimino-3-methylpentanamide
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78436882ChemSpider