TPU-0037-C (CHEBI:216884)

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CHEBI:216884 - TPU-0037-C

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ChEBI ID	CHEBI:216884
ChEBI Name	TPU-0037-C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C46H72N4O9
Net Charge	0
Average Mass	825.101
Monoisotopic Mass	824.52993
SMILES	CC1=CC2C(O)CCCC2C(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/C46H72N4O9/c1-27(38(54)15-7-12-32(51)11-6-13-34(53)25-31-10-9-23-50(31)45(47)48)17-20-33(52)21-18-28(2)42(57)29(3)19-22-36-30(4)24-35-37(14-8-16-39(35)55)46(36,5)43(58)41-40(56)26-49-44(41)59/h6-7,11,15,17-18,20,24,27,29,31-39,42,51-55,57-58H,8-10,12-14,16,19,21-23,25-26H2,1-5H3,(H3,47,48)(H,49,59)/b11-6+,15-7+,20-17+,28-18+,43-41?
InChIKey	ABOXJBHGJDKUNW-HBVXYWQDSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	TPU-0037-C (CHEBI:216884) is a pyrroline (CHEBI:23763)

IUPAC Name
2-[(4E,8E,12E,16E)-21-[1-[(2,4-dioxopyrrolidin-3-ylidene)-hydroxymethyl]-5-hydroxy-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
78444183	ChemSpider