Leupyrrin B2 (CHEBI:225754)

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CHEBI:225754 - Leupyrrin B2

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ChEBI ID	CHEBI:225754
ChEBI Name	Leupyrrin B2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C41H54N2O10
Net Charge	0
Average Mass	734.887
Monoisotopic Mass	734.37785
SMILES	COC/C=C/C(C)=C1\COC(CC(C)C)\C1=C/C1N=C2OC1COC(=O)/C(CC(C)C)=C/C(=O)OC1C(OC(=O)C1(C)CO)/C(C)=C/Cc1ccc2n1
InChI	InChI=1S/C41H54N2O10/c1-23(2)16-27-18-35(45)52-37-36(53-40(47)41(37,7)22-44)26(6)11-12-28-13-14-31(42-28)38-43-32(34(51-38)21-50-39(27)46)19-29-30(25(5)10-9-15-48-8)20-49-33(29)17-24(3)4/h9-11,13-14,18-19,23-24,32-34,36-37,42,44H,12,15-17,20-22H2,1-8H3/b10-9+,26-11+,27-18+,29-19-,30-25+
InChIKey	SRCDTOUUBIJABY-GREQVZGHSA-N

Species of Metabolite	Component	Source	Comments
Sorangium (ncbitaxon:39643)	-	PubMed (14510597)

ChEBI Ontology

Outgoing Relation(s)
	Leupyrrin B2 (CHEBI:225754) is a macrolide (CHEBI:25106)

IUPAC Name
(7E,16E)-12-(hydroxymethyl)-22-[(Z)-[(4Z)-4-[(E)-5-methoxypent-3-en-2-ylidene]-2-(2-methylpropyl)oxolan-3-ylidene]methyl]-8,12-dimethyl-17-(2-methylpropyl)-10,14,19,24-tetraoxa-23,25-diazatetracyclo[19.2.1.12,5.09,13]pentacosa-1(23),2,4,7,16-pentaene-11,15,18-trione

Manual Xrefs	Databases
78443654	ChemSpider