TPU-0037-A (CHEBI:204878)

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CHEBI:204878 - TPU-0037-A

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ChEBI ID	CHEBI:204878
ChEBI Name	TPU-0037-A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C46H72N4O10
Net Charge	0
Average Mass	841.100
Monoisotopic Mass	840.52484
SMILES	CC1=CC2C(O)C(O)CCC2C(C)(C(O)=C2C(=O)CNC2=O)C1CCC(C)C(O)/C(C)=C/CC(O)/C=C/C(C)C(O)/C=C/CC(O)/C=C/CC(O)CC1CCCN1C(=N)N
InChI	InChI=1S/C46H72N4O10/c1-26(37(54)13-7-11-31(51)10-6-12-33(53)24-30-9-8-22-50(30)45(47)48)14-17-32(52)18-15-27(2)41(57)28(3)16-19-35-29(4)23-34-36(20-21-38(55)42(34)58)46(35,5)43(59)40-39(56)25-49-44(40)60/h6-7,10,13-15,17,23,26,28,30-38,41-42,51-55,57-59H,8-9,11-12,16,18-22,24-25H2,1-5H3,(H3,47,48)(H,49,60)/b10-6+,13-7+,17-14+,27-15+,43-40?
InChIKey	UXOJELXNKQYYOV-HGMMWVQVSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (12523820)

ChEBI Ontology

Outgoing Relation(s)
	TPU-0037-A (CHEBI:204878) is a pyrrolidinone (CHEBI:38275)

IUPAC Name
2-[(4E,8E,12E,16E)-21-[1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5,6-dihydroxy-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-2-yl]-2,6,10,14,18-pentahydroxy-11,17,19-trimethylhenicosa-4,8,12,16-tetraenyl]pyrrolidine-1-carboximidamide

Manual Xrefs	Databases
49697308	ChemSpider