Sclerotiotide H/I/J/K (CHEBI:207249)

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CHEBI:207249 - Sclerotiotide H/I/J/K

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ChEBI ID	CHEBI:207249
ChEBI Name	Sclerotiotide H/I/J/K
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H38N4O6
Net Charge	0
Average Mass	466.579
Monoisotopic Mass	466.27913
SMILES	CC(O)C(O)/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
InChI	InChI=1S/C23H38N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-18,20,28-29H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,18?,20-/m0/s1
InChIKey	DMCVGIKLKNPCAA-HIDOQYIDSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (20503985)

ChEBI Ontology

Outgoing Relation(s)
	Sclerotiotide H/I/J/K (CHEBI:207249) is a azamacrocycle (CHEBI:52898)
	Sclerotiotide H/I/J/K (CHEBI:207249) is a keratan 6'-sulfate (CHEBI:18331)

IUPAC Name
(2E,4E)-6,7-dihydroxy-N-[(3S,6S,9S)-3,4,7-trimethyl-2,5,8-trioxo-6-propan-2-yl-1,4,7-triazacyclododec-9-yl]octa-2,4-dienamide

Manual Xrefs	Databases
78437328	ChemSpider